SCHEMBL175217

SCHEMBL175217

CCC(=O)Nc1nccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.68
ACP1 P24666 1/20 0.63
PKM P14618 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
ALDH1A1 P00352 3/20 0.61
EPHX2 P34913 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
Bromide SCHEMBL27891199 0.98 ADORA2A (0.67) ADORA2AACP1PKMRAB9ASMN1; SMN2
SCHEMBL12630120 0.88 ACP1 (0.58) ADORA2AACP1PKMRAB9ASMN1; SMN2
Chlorobenzene SCHEMBL9602640 0.87 FFAR2 (0.63) ADORA2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4112093 0.86 ADORA2A (0.70) ADORA2AACP1PKMRAB9ASMN1; SMN2
SCHEMBL10666660 0.84 ACP1 (0.61) ACP1PKMRAB9ASMN1; SMN2NPC1
Trifluoromethylbenzene SCHEMBL10350569 0.83 MEN1 (0.65) ADORA2APKMRAB9ASMN1; SMN2NPC1
SCHEMBL2837501 0.83 ACP1 (0.65) ACP1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL2837504 0.83 ACP1 (0.65) ACP1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL1854243 0.83 ADORA2A (0.71) ADORA2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2605848 0.83 SMN1; SMN2 (0.59) ACP1PKMRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021116260-A1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-06-17 WO claimed
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 WO claimed
US-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-30 US claimed
EP-2091947-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2009-08-26 EP claimed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
EP-2049518-A2 INDAZOLE AND ISOINDOLE DERIVATIVES AS GLUCOKINASE ACTIVATING AGENTS. Takeda San Diego, Inc. (US) 2009-04-22 EP claimed
EP-2024329-A2 (2R)-2-[(4-SULFONYL)AMINOPHENYL]PROPANAMIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2009-02-18 EP claimed
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP claimed
WO-2008116107-A2 PIPERAZINE DERIVATIVES AS GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-09-25 WO claimed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 WO claimed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed
WO-2007143434-A2 INDAZOLE AND ISOINDOLE DERIVATIVES AS GLUCOKINASE ACTIVATING AGENTS TAKEDA SAN DIEGO, INC. (US) 2007-12-13 WO claimed
WO-2007135080-A2 (2R)-2-[(4-SULFONYL)AMINOPHENYL]PROPANAMIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA. S.P.A. (IT) 2007-11-29 WO claimed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO claimed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP claimed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO claimed
WO-2024126777-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
CN-86108205-A New thiazolium compounds and preparation method thereof and their pharmaceutical composition 1987-06-17 CN disclosed
US-4293549-A Quinolinyl guanidines having antiinflammatory, analgesic or antipyretic activity LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTION-SAKTIESELSKAB) (DK) 1981-10-06 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 (1 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-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES GPR119, GLS, GCKR ADORA2A 1013/4885ACP1 755/4885PKM 1280/4885

“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.