SCHEMBL477444

SCHEMBL477444

NC(=O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.49
CTSS P25774 2/20 0.48
PARP1 P09874 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CD38 P28907 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
P2RX7 Q99572 1/20 0.43
PTGS1 P23219 1/20 0.42
CTSK P43235 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP3A4 P08684 2/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29733181 0.84 PARP1 (0.58) KAT6APARP1CD38LMNAGAA
SCHEMBL28188796 0.84 KAT6A (0.51) KAT6ACTSSTAS1R3TAS1R1TAS1R2
SCHEMBL18131330 0.83 CA2 (0.42) CTSSPARP1TAS1R3TAS1R1TAS1R2
SCHEMBL9560994 0.82 KAT6A (0.50) KAT6ACTSSTAS1R3TAS1R1TAS1R2
SCHEMBL398909 0.82 KAT6A (0.54) KAT6ACTSSTAS1R3TAS1R1TAS1R2
SCHEMBL5025538 0.82 CES2 (0.40) KAT6ACTSSPARP1CD38LMNA
SCHEMBL118007 0.82 LMNA (0.60) PARP1LMNAGAAPTGS1KDM4E
SCHEMBL27535691 0.82 LMNA (0.60) PARP1LMNAGAAPTGS1KDM4E
SCHEMBL9018701 0.81 SLC9A1 (0.52) KAT6ACTSSTAS1R3TAS1R1TAS1R2
SCHEMBL27214503 0.81 ALDH1A1 (0.52) PARP1GAAAURKAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-120152713-A Tricyclic aryl derivatives and compositions and methods thereof 昂胜医疗科技公司 2025-06-13 CN disclosed
CN-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 CN disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-12208098-B2 4-carbonylamino-4-phenylpyrimidine compound or pharmaceutically acceptable salt thereof GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2025-01-28 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) JASSEN PHARMACEUTICA N.V. (BE) 2005-01-20 US disclosed
WO-2004113309-A1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-29 WO disclosed
EP-1451160-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES Icagen, Inc. (US) 2004-09-01 EP disclosed
WO-2003037274-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES ICAGEN, INC. (US) 2003-05-08 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 (3 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-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 KAT6A 1223/4885CTSS 3736/4885PARP1 3646/4885
US-12208098-B2 4-carbonylamino-4-phenylpyrimidine compound or pharmaceutically acceptable salt thereof SLC5A1, SLC10A1, DPP4 KAT6A 2346/4885CTSS 3404/4885PARP1 2727/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KAT6A 3060/4885CTSS 3164/4885PARP1 3600/4885

“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.