SCHEMBL4092853

SCHEMBL4092853

CC(C)(CC(=O)O)c1sc(C(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
DAO P14920 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
S1PR1 P21453 2/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
AR P10275 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
APP P05067 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
SCHEMBL27736234 0.79 APP (0.41) DAOERCC5FEN1ARAPP
SCHEMBL4086919 0.75 DAO (0.52) ALDH1A1DAOERCC5FEN1S1PR1
SCHEMBL27879696 0.67 CTNNB1 (0.37) ALDH1A1DAOERCC5FEN1S1PR1
SCHEMBL22458451 0.64 CYP2C19 (0.47) ALDH1A1CYP2C19HIF1AAPP
SCHEMBL16345886 0.64 DAO (0.39) ALDH1A1DAOERCC5FEN1
SCHEMBL12153753 0.62 DAO (0.44) ALDH1A1DAORXFP1ERCC5FEN1
SCHEMBL22020943 0.61 PTGS2 (0.33)
SCHEMBL5331438 0.61 CES2 (0.39) ALDH1A1DAORXFP1CYP2C19HIF1A
SCHEMBL17283102 0.60 HIF1A (0.40) CYP2C19HIF1ATBXA2R
SCHEMBL1971165 0.60 TSHR (0.41) ALDH1A1DAOCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762534-A Aryl sulfone derivatives as calcium channel blockers ZALICUS PHARMACEUTICALS LTD 2012-10-31 CN disclosed
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 ALDH1A1 389/4885DAO 1109/4885RXFP1 3131/4885

“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.