SCHEMBL3906252

SCHEMBL3906252

COC(=O)c1c[nH]nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.43
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
SOS1 Q07889 1/20 0.38
MAP2K1 Q02750 1/20 0.37
GAA P10253 3/20 0.37
NR4A2 P43354 1/20 0.37
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
NOTUM Q6P988 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL717700 0.84 TSHR (0.40) CFTRMAPTTSHRMAP2K1GAA
SCHEMBL23421834 0.83 JUN (0.39) NPC1PKMGAAALDH1A1LMNA
SCHEMBL12956800 0.81 ALDH1A1 (0.33) GAAALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL20471902 0.81 CA12 (0.38) MAPTNPC1PKMALDH1A1LMNA
SCHEMBL69229 0.81 KDM4E (0.54) MAPTTSHRALDH1A1LMNAKDM4E
SCHEMBL4114660 0.81 ALDH1A1 (0.39) CFTRPKMGAACREBBPALDH1A1
SCHEMBL783526 0.79 NOTUM (0.38) MAPTALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL12450297 0.79 KDM4E (0.31) NPC1PKMGAAKDM4E
SCHEMBL1832559 0.78 MAPK1 (0.39) HTTMAPK1
SCHEMBL727645 0.78 PARP1 (0.37) ALDH1A1KDM4EKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039225-A Purification method of fluorine-containing methyl pyrazole carboxylic ester 中蓝晨光化工研究设计院有限公司 2024-11-29 CN disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 CFTR 1567/4885MAPT 4806/4885TSHR 504/4885

“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.