SCHEMBL3328565

SCHEMBL3328565

Cc1cc(Cl)c(C(=O)C(=O)O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HTT P42858 2/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37
DAO P14920 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 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
SCHEMBL10628886 0.82 ALDH1A1 (0.50) ALDH1A1HTTKDM4ESMN1; SMN2TSHR
SCHEMBL5166000 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRCASP1MYC
SCHEMBL3327663 0.78 ATM (0.37) ALDH1A1HTTSMN1; SMN2TSHRGAA
SCHEMBL10630827 0.77 SMN1; SMN2 (0.35) ALDH1A1KDM4ESMN1; SMN2TSHRCASP1
SCHEMBL20194580 0.76 CA12 (0.50) ALDH1A1HTTKDM4ECASP1GAA
SCHEMBL13632241 0.74 CYP3A4 (0.42) ALDH1A1HTTGFERKDM4ETSHR
SCHEMBL14590043 0.72 GAA (0.47) ALDH1A1HTTKDM4ESMN1; SMN2TSHR
SCHEMBL18432608 0.71 KDM4E (0.44) ALDH1A1HTTKDM4ESMN1; SMN2TSHR
SCHEMBL13171240 0.71 ALDH1A1 (0.48) ALDH1A1HTTKDM4ESMN1; SMN2TSHR
SCHEMBL92141 0.71 CA12 (0.50) ALDH1A1KDM4ESMN1; SMN2TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 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 (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-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 ALDH1A1 1479/4885HTT 4790/4885GFER 3922/4885

“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.