SCHEMBL3626110

SCHEMBL3626110

CC(=O)Nc1cccc2cc(C(=O)O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53
APEX1 P27695 1/20 0.51
MAP3K5 Q99683 1/20 0.48
FBP1 P09467 2/20 0.48
NSD2 O96028 1/20 0.48
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
DAO P14920 1/20 0.46
SRD5A2 P31213 1/20 0.46
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
EIF4A3 P38919 1/20 0.43
CASP6 P55212 1/20 0.43
IDO1 P14902 1/20 0.42

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
SCHEMBL3238955 0.84 MEN1 (0.49) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL1653830 0.81 HPGD (0.46) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL28469703 0.81 MMP13 (0.57) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL25504241 0.79 ALDH1A1 (0.44) HPGDALDH1A1HSD17B10MEN1USP2
Hydrochloric Acid SCHEMBL7882200 0.78 MAP3K5 (0.42) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL6833137 0.77 MAP3K5 (0.44) HSD17B10KMT2AMAP3K5NSD2KDM4E
SCHEMBL1653805 0.77 NPC1 (0.53) HPGDALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL7882196 0.77 MAP3K5 (0.41) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL3633330 0.76 HPGD (0.57) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL926151 0.76 PLAU (0.56) HPGDALDH1A1HSD17B10MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808079-A Indole ASK1 small molecule inhibitor and preparation method and application thereof 中国药科大学 2020-10-23 CN disclosed
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
EP-2155675-B1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS INC (US) 2014-02-19 EP disclosed
EP-2155675-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH Provid Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 US disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 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-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 HPGD 3440/4885ALDH1A1 4484/4885HSD17B10 4186/4885

“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.