SCHEMBL2540656

SCHEMBL2540656

COc1cccc(C(=O)N(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
PARP1 P09874 1/20 0.62
HSD17B2 P37059 2/20 0.59
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
STS P08842 1/20 0.51
HSD17B1 P14061 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL30870831 1.00 CES2 (0.67) CES2CES1PARP1HSD17B2NPC1
SCHEMBL12019561 0.89 STS (0.59) CES2CES1PARP1HSD17B2NPC1
SCHEMBL2199255 0.87 CES2 (0.65) CES2CES1PARP1HSD17B2NPC1
SCHEMBL307622 0.86 CES2 (0.62) CES2CES1PARP1HSD17B2NPC1
SCHEMBL2540654 0.84 F10 (0.49) CES2CES1PARP1HSD17B2MEN1
SCHEMBL15386976 0.84 F10 (0.49) CES2CES1PARP1HSD17B2MEN1
SCHEMBL14319078 0.83 CES2 (0.59) CES2CES1PARP1HSD17B2NPC1
SCHEMBL21425705 0.83 MEN1 (0.60) CES2CES1PARP1HSD17B2NPC1
SCHEMBL2353790 0.83 CES2 (0.59) CES2CES1PARP1HSD17B2NPC1
SCHEMBL15386970 0.82 LMNA (0.56) CES2CES1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-12570645-B2 Uses of p53 x-ray co-crystal structures PMV PHARMACEUTICALS, INC. (US) 2026-03-10 US disclosed
US-20260027097-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS INC (US) 2026-01-29 US disclosed
US-20250319063-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. 2025-10-16 US disclosed
US-12419880-B2 Companion diagnostic tool for mutant p53 reactivating compounds PMV PHARMACEUTICALS, INC. (US) 2025-09-23 US disclosed
US-20240269126-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER PMV PHARMACEUTICALS, INC. 2024-08-15 US disclosed
US-11938124-B2 Combination therapy for treatment of cancer PMV PHARMACEUTICALS, INC. (US) 2024-03-26 US disclosed
CN-112041320-B Compound capable of being used as tumor inhibitor and preparation method and application thereof 甘李药业股份有限公司 2023-05-23 CN disclosed
US-20230049952-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-20230044826-A1 COMPANION DIAGNOSTIC TOOL FOR MUTANT P53 REACTIVATING COMPOUNDS PMV PHARMACEUTICALS, INC. 2023-02-09 US disclosed
EP-0275092-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1988-07-20 EP disclosed
EP-0041711-B1 6-CHLORO- OR 6-BROMO-1,2-DIHYDRO-3H-PYRROLO(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1985-04-17 EP disclosed
US-4458081-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1984-07-03 US disclosed
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 US disclosed
US-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4344943-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1982-08-17 US disclosed
EP-0041711-A1 6-Chloro- or 6-bromo-1,2-dihydro-3H-pyrrolo(1,2-a)-pyrrole-1-carboxylic acids and derivatives thereof, process for their production and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-12-16 EP disclosed
US-4089969-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, SMOOTH MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-05-16 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 (8 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-11938124-B2 Combination therapy for treatment of cancer TP53, KRAS, TP53BP1 CES2 4326/4885CES1 3922/4885PARP1 457/4885
US-20230049952-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION TP53, TP53BP1, KRAS CES2 3795/4885CES1 3214/4885PARP1 953/4885
US-20250319063-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION TP53, TP53BP1, KRAS CES2 3852/4885CES1 3063/4885PARP1 865/4885
US-20230044826-A1 COMPANION DIAGNOSTIC TOOL FOR MUTANT P53 REACTIVATING COMPOUNDS TP53, TP53BP1, KRAS CES2 3623/4885CES1 3392/4885PARP1 928/4885
US-20260027097-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, BRCA1 CES2 4582/4885CES1 3502/4885PARP1 457/4885
US-12570645-B2 Uses of p53 x-ray co-crystal structures TP53, TP53BP1, ERCC2 CES2 4627/4885CES1 3155/4885PARP1 694/4885
US-20240269126-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER TP53, KRAS, TP53BP1 CES2 4326/4885CES1 3922/4885PARP1 457/4885
US-12419880-B2 Companion diagnostic tool for mutant p53 reactivating compounds TP53, TP53BP1, KRAS CES2 3623/4885CES1 3392/4885PARP1 928/4885

“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.