SCHEMBL232514

SCHEMBL232514

N[C@@H](CS)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.42
MMP2 P08253 1/20 0.40
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
DNMT1 P26358 1/20 0.37

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
SCHEMBL3318601 0.86 KIF11 (0.48) KIF11MMP2
SCHEMBL1899105 0.85 KIF11 (0.44) KIF11PTGS1CYP1A2CYP2D6
SCHEMBL6072849 0.84 KIF11 (0.55) KIF11
SCHEMBL7486608 0.83 KIF11 (0.42) KIF11CYP1A2CYP2D6
SCHEMBL7486605 0.83 KIF11 (0.42) KIF11CYP1A2CYP2D6DNMT1
SCHEMBL14343479 0.82 KIF11 (0.49) KIF11DNMT1
SCHEMBL20553873 0.82 KIF11 (0.41) KIF11CYP1A2CYP2D6DNMT1
SCHEMBL8636658 0.81 MMP2 (0.38) KIF11MMP2CYP1A2
SCHEMBL6745551 0.80 KMT2A (0.44) KIF11CYP1A2CYP2D6
SCHEMBL9042463 0.79 KMT2A (0.38) KIF11

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

Appears in 2050 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116861-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-04-30 US claimed
US-12522572-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-01-13 US claimed
EP-4590346-A1 FIBROBLAST ACTIVATION PROTEIN (FAP) INHIBITORS, FAP CONJUGATES, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF Nuclidium AG (CH) 2025-07-30 EP claimed
EP-4086250-B1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND MTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2024-12-11 EP claimed
US-20240343697-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2024-10-17 US claimed
WO-2024064968-A1 FIBROBLAST ACTIVATION PROTEIN (FAP) INHIBITORS, FAP CONJUGATES, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF NUCLIDIUM AG (CH) 2024-03-28 WO claimed
CN-116715728-A Method for preparing supermolecule spiral assembly monocrystal by using R-configuration cyclic pentapeptide 深圳湾实验室坪山生物医药研发转化中心 2023-09-08 CN claimed
EP-2805945-B1 Amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors MSD ITALIA SRL (IT) 2019-04-03 EP claimed
US-20170360950-A1 DRUG DELIVERY CONJUGATES CONTAINING UNNATURAL AMINO ACIDS AND METHODS FOR USING ENDOCYTE INC (US) 2017-12-21 US claimed
US-9707248-B2 Use of thiopyrimidinecarboxamide for treating cancer SYNTRIX BIOSYSTEMS INC. (US) 2017-07-18 US claimed
US-20040132736-A1 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION 2004-07-08 US claimed
EP-1423381-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES Schering Corporation (US) 2004-06-02 EP claimed
WO-2004030627-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO claimed
US-20040072760-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-04-15 US claimed
US-20030232837-A1 17-Beta hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION 2003-12-18 US claimed
EP-1313725-A1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2003-05-28 EP claimed
WO-2003033487-A1 PIPERIDINE- AND PIPERAZINEACETAMINES AS 17BETA HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2003-04-24 WO claimed
WO-2003022835-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2003-03-20 WO claimed
US-20020198216-A1 Novel farnesyl protein transferase inhibitors as antitumor agents PHARMACOPEIA DRUG DISCOVERY 2002-12-26 US claimed
WO-2002018368-A1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2002-03-07 WO claimed