SCHEMBL679084

SCHEMBL679084

CCc1csc([C@@H](N)Cc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 6/20 0.38
TSHR P16473 1/20 0.38
PTPRB P23467 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27750752 1.00 MAPK1 (0.41) MAPK1ALDH1A1TSHRPTPRBMEN1
SCHEMBL679479 0.81 EIF4E (0.48) MAPK1ALDH1A1TSHRMEN1KMT2A
SCHEMBL467873 0.78 PTPRB (0.41) MAPK1PTPRBMEN1KMT2ASMN1; SMN2
SCHEMBL468061 0.78 PTPRB (0.41) MAPK1PTPRBMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL467881 0.77 PTPRB (0.40) MAPK1PTPRBMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL19502581 0.77 PTPRB (0.40) MAPK1PTPRBMEN1KMT2ASMN1; SMN2
SCHEMBL29794298 0.74 TP53 (0.41) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7517585 0.70 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9583017 0.70 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL6130330 0.70 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152023-B2 Compositions, formulations and methods for treating ocular diseases EyePoint Pharmaceuticals, Inc. (US) 2024-11-26 US disclosed
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
US-20220378750-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2022-12-01 US disclosed
US-20220274976-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint, Inc. 2022-09-01 US disclosed
CN-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2022-04-21 US disclosed
US-20220016086-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2020-11-19 US disclosed
EP-3323815-B1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS LLC (US) 2020-10-07 EP disclosed
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-09-03 US disclosed
US-20130096140-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-04-18 US disclosed
US-20130023543-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-01-24 US disclosed
CN-101506183-B human protein tyrosine phosphatase inhibitors and methods of use thereof PROCTER & GAMBLE 2012-08-08 CN disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-01-21 US disclosed
US-7622593-B2 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2009-11-24 US disclosed
CN-101506183-A Human protein tyrosine phosphatase inhibitors and methods of use thereof PROCTER & GAMBLE (US) 2009-08-12 CN disclosed
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2008-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096140-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MAPK1 2188/4885ALDH1A1 4349/4885TSHR 2225/4885
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 MAPK1 991/4885ALDH1A1 3159/4885TSHR 1680/4885
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MAPK1 2188/4885ALDH1A1 4349/4885TSHR 2225/4885
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MAPK1 2188/4885ALDH1A1 4349/4885TSHR 2225/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 MAPK1 3581/4885ALDH1A1 292/4885TSHR 4861/4885
US-20130023543-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MAPK1 2188/4885ALDH1A1 4349/4885TSHR 2225/4885
US-20220016086-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 MAPK1 991/4885ALDH1A1 3159/4885TSHR 1680/4885
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 MAPK1 3760/4885ALDH1A1 1389/4885TSHR 3771/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 MAPK1 3760/4885ALDH1A1 1389/4885TSHR 3771/4885
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis VASP, DUSP15, PPP5C MAPK1 903/4885ALDH1A1 3961/4885TSHR 740/4885
US-20220274976-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR MAPK1 3966/4885ALDH1A1 3657/4885TSHR 2208/4885
US-12152023-B2 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR MAPK1 3966/4885ALDH1A1 3657/4885TSHR 2208/4885
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR MAPK1 3966/4885ALDH1A1 3657/4885TSHR 2208/4885
US-20220378750-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MAPK1 2188/4885ALDH1A1 4349/4885TSHR 2225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.