SCHEMBL657707

SCHEMBL657707

O=C(CC(c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.56
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45

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 0.94 PDPK1 (0.62) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL658265 0.88 PDPK1 (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL2141563 0.88 PDPK1 (0.63) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657374 0.87 KMT2A (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657492 0.87 PDPK1 (0.76) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL2142802 0.87 PDPK1 (0.55) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL10256955 0.87 POLB (0.72) PDPK1POLBKMT2ANPC1RAB9A
SCHEMBL657310 0.84 CYP2C9 (0.73) PDPK1POLBKMT2ANPC1RAB9A
SCHEMBL657567 0.83 PDPK1 (0.78) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL660915 0.83 L3MBTL1 (0.60) POLBKMT2ANPC1RAB9ACYP2C9

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
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
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
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

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 PDPK1 109/4885POLB 4008/4885KMT2A 1777/4885

“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.