SCHEMBL657343

SCHEMBL657343

Cc1ccccc1C(CC(=O)O)CC(=O)OC(=O)CC(CC(=O)O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 15/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
PTGFR P43088 2/20 0.39

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
SCHEMBL658439 0.90 GABBR2 (0.48) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL30781885 0.90 GABBR2 (0.48) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL27544216 0.88 ALDH1A1 (0.47) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL18151385 0.83 POLB (0.63) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL9468345 0.82 L3MBTL1 (0.43) L3MBTL1
SCHEMBL14081313 0.81 CTSA (0.45) CTSAGABBR2GABBR1PTGFR
SCHEMBL2794839 0.81 CTSA (0.49) CTSAGABBR2GABBR1
SCHEMBL657210 0.81 GABBR2 (0.41) POLBHTTNPSR1L3MBTL1GABBR2
SCHEMBL5972758 0.80 TSHR (0.48) POLBHTTNPSR1L3MBTL1
SCHEMBL21631997 0.80 GABBR2 (0.61) CTSAGABBR2GABBR1

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
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CTSA 1337/4885POLB 4008/4885HTT 3033/4885

“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.