SCHEMBL52702

SCHEMBL52702

CC[N+](CC)(CC)S(=O)(=O)NC(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.31
CA12 O43570 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA2 P00918 1/20 0.30

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
Hydrochloric Acid SCHEMBL27767877 0.98 EPHX1 (0.31) EPHX1MAPTHPGD
Hydrochloric Acid SCHEMBL27567194 0.89 MAPT (0.33) MAPT
SCHEMBL18480410 0.88 EPHX1 (0.32) EPHX1CA12CA14CA1CA7
Hydrochloric Acid SCHEMBL6428582 0.88 MAPT (0.33) MAPT
Betaine SCHEMBL1302591 0.86 TSHR (0.45)
Water SCHEMBL4106014 0.82 GAA (0.40) HPGD
SCHEMBL12866625 0.80 CA1 (0.51) CA12CA14CA1CA7CA2
Water SCHEMBL3597496 0.78 MEN1 (0.39)
SCHEMBL2888595 0.77
SCHEMBL1693442 0.76 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4410788-B1 CYANO COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2026-03-04 EP claimed
WO-2025081982-A1 PREPARATION METHOD FOR FINERENONE KEY INTERMEDIATE 山东诚创蓝海医药科技有限公司 2025-04-24 WO claimed
WO-2024256574-A1 PROCESS FOR PREPARING MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-19 WO claimed
CN-114269744-B Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2024-10-18 CN claimed
EP-4410788-A1 CYANO COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-08-07 EP claimed
WO-2023051657-A1 CYANO COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-04-06 WO claimed
US-20220298226-A1 METHACRYLATED COLLAGEN JELLAGEN LTD (GB) 2022-09-22 US claimed
EP-3990455-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-05-04 EP claimed
EP-3986489-A1 METHACRYLATED COLLAGEN Jellagen Limited (GB) 2022-04-27 EP claimed
CN-114269744-A Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2022-04-01 CN claimed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP claimed
EP-1778220-A1 CONSTRAINED CYANO COMPOUNDS Phenomix Corporation (US) 2007-05-02 EP claimed
CN-1894243-A 4- (pyrazol-3-ylamino) pyrimidine derivatives for the treatment of cancer ASTRAZENECA AB (SE) 2007-01-10 CN claimed
EP-1303514-B9 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2006-11-08 EP claimed
WO-2006017292-A1 CONSTRAINED CYANO COMPOUNDS PHENOMIX CORPORATION (US) 2006-02-16 WO claimed
US-20060009518-A1 Constrained cyano compounds Forest Laboratories Holding Limited (BM) 2006-01-12 US claimed
CN-1227250-C Process for preparing azacycloalkanoylaminothiazoles BRISTOL MYERS SQUIBB CO (US) 2005-11-16 CN claimed
EP-1303514-B1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2005-07-20 EP claimed
CN-1449395-A Process for preparing azacycloalkanoylaminothiazoles BRISTOL MYERS SQUIBB CO (US) 2003-10-15 CN claimed
EP-0880541-B1 DERIVATIVES OF ANTIBIOTIC GE2270 FACTORS BIOSEARCH ITALIA SPA (IT) 2003-01-15 EP claimed

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-20060009518-A1 Constrained cyano compounds DNPEP, PREP, PEPD EPHX1 1922/4885MAPT 4255/4885HPGD 851/4885

“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.