SCHEMBL657310

SCHEMBL657310

CCc1ccc(C(=O)CC(c2ccc(Cl)cc2)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
POLB P06746 3/20 0.55
PDPK1 O15530 4/20 0.52
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
AGTR1 P30556 1/20 0.45
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL656058 0.90 PDPK1 (0.62) CYP2C9CYP2C19POLBPDPK1KMT2A
SCHEMBL657192 0.87 PDPK1 (0.68) CYP2C9CYP2C19PDPK1KMT2AL3MBTL1
SCHEMBL10256955 0.86 POLB (0.72) CYP2C9CYP2C19POLBPDPK1KMT2A
SCHEMBL657922 0.85 CYP2C9 (0.61) CYP2C9CYP2C19POLBKMT2AL3MBTL1
SCHEMBL7824145 0.84 CYP2C9 (1.00) CYP2C9CYP2C19POLBPDPK1KMT2A
SCHEMBL657707 0.84 PDPK1 (0.56) CYP2C9CYP2C19POLBPDPK1KMT2A
SCHEMBL2141563 0.84 PDPK1 (0.63) CYP2C9CYP2C19POLBPDPK1KMT2A
SCHEMBL658265 0.84 PDPK1 (0.72) CYP2C9CYP2C19POLBPDPK1KMT2A
SCHEMBL657374 0.83 KMT2A (0.72) CYP2C9CYP2C19POLBPDPK1KMT2A
SCHEMBL657492 0.83 PDPK1 (0.76) CYP2C9CYP2C19POLBPDPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
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-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US 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
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CYP2C9 4696/4885CYP2C19 4532/4885POLB 4008/4885

“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.