SCHEMBL500877

SCHEMBL500877

COC(=O)c1ncsc1N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 9/20 0.45
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
CCR3 P51677 4/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL500876 1.00 PTPRB (0.45) PTPRBRAB9AGAACCR3MEN1
SCHEMBL16084740 0.86 PTPRB (0.51) PTPRBL3MBTL1
SCHEMBL22178576 0.85 PTPRB (0.48) PTPRBL3MBTL1
SCHEMBL500390 0.84 PTPRB (0.65) PTPRB
SCHEMBL500389 0.84 PTPRB (0.65) PTPRB
SCHEMBL19795558 0.83 PTPRB (0.55) PTPRB
SCHEMBL27772340 0.83 PTPRB (0.49) PTPRBRAB9AGAACCR3MEN1
SCHEMBL683488 0.82 PTPRB (0.41) PTPRBRAB9AGAACCR3MEN1
SCHEMBL8522780 0.81 PTPRB (0.46) PTPRBRAB9AGAACCR3MEN1
SCHEMBL8556924 0.79 PTPRB (0.46) PTPRBRAB9AGAACCR3MEN1

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 96 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-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-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
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-09-03 US disclosed
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-07-02 US disclosed
US-20200108080-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2020-04-09 US disclosed
EP-3607821-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics, Inc. (US) 2020-02-12 EP disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
CN-101506180-A Human protein tyrosine phosphatase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (9 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-20200108080-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 PTPRB 2215/4885RAB9A 2095/4885GAA 3252/4885
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 PTPRB 551/4885RAB9A 314/4885GAA 2308/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C PTPRB 47/4885RAB9A 2893/4885GAA 2152/4885
US-20220016086-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 PTPRB 1894/4885RAB9A 1964/4885GAA 2854/4885
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 PTPRB 551/4885RAB9A 314/4885GAA 2308/4885
US-20220274976-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR PTPRB 609/4885RAB9A 3235/4885GAA 2788/4885
US-12152023-B2 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR PTPRB 609/4885RAB9A 3235/4885GAA 2788/4885
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR PTPRB 609/4885RAB9A 3235/4885GAA 2788/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C PTPRB 47/4885RAB9A 2893/4885GAA 2152/4885

“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.