SCHEMBL4086919

SCHEMBL4086919

CC(C)(CC(=O)O)c1ccc(C(F)(F)F)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.52
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
S1PR1 P21453 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL24346167 0.79 DAO (0.42) DAOERCC5FEN1ALDH1A1TSHR
SCHEMBL19388159 0.78 DAO (0.41) DAOERCC5FEN1ALDH1A1TSHR
SCHEMBL27736198 0.77 DAO (0.55) DAOERCC5FEN1ALDH1A1TSHR
SCHEMBL4092853 0.75 ALDH1A1 (0.36) DAOERCC5FEN1CYP2C19HIF1A
SCHEMBL22458451 0.73 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1L3MBTL1LMNA
SCHEMBL16467611 0.72 DAO (0.54) DAOERCC5FEN1ALDH1A1TSHR
SCHEMBL14997805 0.71 DAO (0.45) DAOERCC5FEN1ALDH1A1TSHR
SCHEMBL4092752 0.70 DAO (0.43) DAOERCC5FEN1ALDH1A1TSHR
SCHEMBL27879696 0.69 CTNNB1 (0.37) DAOERCC5FEN1CYP2C19HIF1A
SCHEMBL24867311 0.69 DAO (0.50) DAOERCC5FEN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 DAO 1109/4885ERCC5 4848/4885FEN1 2411/4885

“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.