SCHEMBL679601

SCHEMBL679601

[c]1nc(-c2ccsc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.41
CYP2B6 P20813 3/20 0.40
CYP2E1 P05181 2/20 0.40
AR P10275 1/20 0.38
ADORA2A P29274 4/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2B P29275 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.37
FYN P06241 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KCNH2 Q12809 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL70645 0.74 ALDH1A1 (0.42) ARADORA2AADORA1CYP3A4NPC1
SCHEMBL443517 0.74 LMNA (0.43) ARCYP3A4CYP2C9CYP2C19NPC1
SCHEMBL3809697 0.71
SCHEMBL5540279 0.71 RAB9A (0.47) CYP2A6CYP2B6CYP2E1ARCYP3A4
SCHEMBL17626009 0.71 ALDH1A1 (0.40) CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL468044 0.71 RAB9A (0.41) NPC1
SCHEMBL10515566 0.71 LTA4H (0.46) ARNPC1
SCHEMBL500232 0.71 RAB9A (0.46) ARNPC1
SCHEMBL1916309 0.71 KMT2A (0.47) NPC1CASP3SENP8SENP7SENP6
SCHEMBL7240451 0.68 ATM (0.33) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160090386-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-31 US claimed
US-20230265087-A1 SMALL MOLECULE ACTIVATORS OF TIE-2 EyePoint, Inc. 2023-08-24 US disclosed
US-11613534-B2 Small molecule activators of Tie-2 EyePoint Pharmaceuticals, Inc. (US) 2023-03-28 US disclosed
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
CN-114901278-A Small molecule activator of Tie-2 视点制药公司 2022-08-12 CN disclosed
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2022-07-07 US disclosed
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2022-04-21 US disclosed
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal EyePoint Pharmaceuticals, Inc. (US) 2022-02-22 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-20210147404-A1 SMALL MOLECULE ACTIVATORS OF TIE-2 EyePoint, Inc. 2021-05-20 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
WO-2010149968-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LIMITED (GB) 2010-12-29 WO 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
CN-101506183-A Human protein tyrosine phosphatase inhibitors and methods of use thereof PROCTER & GAMBLE (US) 2009-08-12 CN 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
WO-1993018016-A1 FUNGICIDAL OXAZOLIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-16 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 (12 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-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP2B6 4822/4885CYP2E1 4859/4885
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP2B6 4822/4885CYP2E1 4859/4885
US-20210147404-A1 SMALL MOLECULE ACTIVATORS OF TIE-2 TIE1, TEK, KDR CYP2A6 4855/4885CYP2B6 4875/4885CYP2E1 4877/4885
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 CYP2A6 4612/4885CYP2B6 4608/4885CYP2E1 4819/4885
US-20160090386-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 CYP2A6 264/4885CYP2B6 141/4885CYP2E1 577/4885
US-20220016086-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 CYP2A6 4675/4885CYP2B6 4671/4885CYP2E1 4477/4885
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal TIE1, TEK, TGFB2 CYP2A6 4612/4885CYP2B6 4608/4885CYP2E1 4819/4885
US-11613534-B2 Small molecule activators of Tie-2 TIE1, TEK, KDR CYP2A6 4855/4885CYP2B6 4875/4885CYP2E1 4877/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 CYP2A6 4576/4885CYP2B6 4547/4885CYP2E1 3937/4885
US-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP2B6 4822/4885CYP2E1 4859/4885
US-20230265087-A1 SMALL MOLECULE ACTIVATORS OF TIE-2 TIE1, TEK, KDR CYP2A6 4855/4885CYP2B6 4875/4885CYP2E1 4877/4885
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 4322/4885CYP2B6 4405/4885CYP2E1 4715/4885

“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.