SCHEMBL3311630

SCHEMBL3311630

Cc1ccccc1C(=O)C=C(O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HPGD P15428 4/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MYC P01106 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMD14 O00487 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL3311627 1.00 GPR52 (0.49) GPR52ERCC5FEN1HPGDCA12
SCHEMBL3311666 1.00 GPR52 (0.49) GPR52ERCC5FEN1HPGDCA12
SCHEMBL3308459 0.82 HPGD (0.45) GPR52ERCC5FEN1HPGDALDH1A1
SCHEMBL3308464 0.82 HPGD (0.45) GPR52ERCC5FEN1HPGDALDH1A1
SCHEMBL8350519 0.80 GPR52 (0.47) GPR52ERCC5FEN1HPGDALDH1A1
SCHEMBL934198 0.80 MEN1 (0.53) GPR52ERCC5FEN1CA12CA1
SCHEMBL934197 0.80 MEN1 (0.53) GPR52ERCC5FEN1CA12CA1
SCHEMBL3308642 0.79 GPR52 (0.41) GPR52ERCC5FEN1HPGDALDH1A1
SCHEMBL3310973 0.78 ALDH1A1 (0.47) HPGDCA12CA1CA2CA9
SCHEMBL3307182 0.78 ALDH1A1 (0.47) HPGDCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US claimed
US-9737522-B2 NMDA receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2017-08-22 US disclosed
US-20150196540-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-07-16 US disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
WO-2014025942-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-02-13 WO disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US 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 (3 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-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof ME3, ME1, MDH1 GPR52 3806/4885ERCC5 3897/4885FEN1 2410/4885
US-20150196540-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO GRIN2C, GRIN2A, GRIN3A GPR52 43/4885ERCC5 2461/4885FEN1 4466/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 GPR52 3806/4885ERCC5 3897/4885FEN1 2410/4885

“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.