SCHEMBL679998

SCHEMBL679998

Cc1ccsc1-c1n[c]cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.43
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2E1 P05181 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL679591 0.77 RAB9A (0.38) KDM4EKMT2AHPGDMAPT
SCHEMBL722595 0.71 CYP2A6 (0.56) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL10301441 0.68 CYP2A6 (0.46) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL679545 0.68 NOTUM (0.37) CYP2A6ALDH1A1MEN1KMT2ALMNA
SCHEMBL1181150 0.67 PDE10A (0.44) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL2412140 0.65 PDPK1 (0.42) CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL11366372 0.65 CYP2A6 (0.43) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL13130594 0.65 CYP2A6 (0.61) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL11374248 0.64 ALDH1A1 (0.50) CYP2A6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL354651 0.64 KDM4E (0.46) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP 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-20200253936-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2020-08-13 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
US-8258311-B2 Human protein tyrosine phosphatase inhibitors and methods of use AERPIO THERAPEUTICS INC. (US) 2012-09-04 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-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-03-18 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
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP 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
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO 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 (13 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 CYP2A6 4675/4885CYP3A4 4307/4885CYP2C19 4320/4885
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP3A4 4826/4885CYP2C19 4869/4885
US-20200108080-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 CYP2A6 4724/4885CYP3A4 4701/4885CYP2C19 4568/4885
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP3A4 4826/4885CYP2C19 4869/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 CYP2A6 3297/4885CYP3A4 3750/4885CYP2C19 4517/4885
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 CYP2A6 4576/4885CYP3A4 4739/4885CYP2C19 4287/4885
US-20200253936-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP3A4 4826/4885CYP2C19 4869/4885
US-20220016086-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 CYP2A6 4675/4885CYP3A4 4307/4885CYP2C19 4320/4885
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 CYP2A6 4576/4885CYP3A4 4739/4885CYP2C19 4287/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 CYP2A6 4576/4885CYP3A4 4739/4885CYP2C19 4287/4885
US-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP3A4 4826/4885CYP2C19 4869/4885
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 CYP2A6 4322/4885CYP3A4 4529/4885CYP2C19 4681/4885
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR CYP2A6 4359/4885CYP3A4 4601/4885CYP2C19 4592/4885

“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.