SCHEMBL468037

SCHEMBL468037

Cc1ccc(-c2cs[c]n2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.41
NPC1 O15118 3/20 0.40
ALPL P05186 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
NOTUM Q6P988 1/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6176931 0.84 KMO (0.42) NPC1MAPTSMN1; SMN2PTGS2RAB9A
SCHEMBL2397843 0.83 RXRA (0.33) CTSK
SCHEMBL2398609 0.82 KDM4E (0.31) ALDH1A1
SCHEMBL2399854 0.82 CYP1A2 (0.33)
SCHEMBL27665943 0.81 MEN1 (0.35) MAPTRAB9AMEN1KMT2APOLB
SCHEMBL2398190 0.80 CTSK (0.39) CTSKMAPTTP53SMN1; SMN2LMNA
SCHEMBL1916309 0.79 KMT2A (0.47) NPC1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL2398161 0.78 CTSK (0.35) CTSKMAPTTP53SMN1; SMN2
SCHEMBL2398145 0.78 TSHR (0.30)
SCHEMBL1916032 0.78 S1PR1 (0.33) SMN1; SMN2POLBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
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-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
CN-114269341-A Tie-2 activator targeting Schlemm's canal 视点制药公司 2022-04-01 CN disclosed
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal EyePoint Pharmaceuticals, Inc. (US) 2022-02-22 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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
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 (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-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CTSK 1825/4885NPC1 3480/4885ALPL 1248/4885
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CTSK 1825/4885NPC1 3480/4885ALPL 1248/4885
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 CTSK 2340/4885NPC1 3267/4885ALPL 3176/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 CTSK 4120/4885NPC1 2768/4885ALPL 3639/4885
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal TIE1, TEK, TGFB2 CTSK 2340/4885NPC1 3267/4885ALPL 3176/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CTSK 1144/4885NPC1 28/4885ALPL 987/4885
US-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CTSK 1825/4885NPC1 3480/4885ALPL 1248/4885
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 CTSK 3572/4885NPC1 2083/4885ALPL 1145/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CTSK 4120/4885NPC1 2768/4885ALPL 3639/4885

“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.