SCHEMBL657567

SCHEMBL657567

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.78
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
UTS2R Q9UKP6 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 1/20 0.46
PTPN1 P18031 2/20 0.46
GSK3B P49841 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CES2 O00748 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 0.89 PDPK1 (0.62) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL658661 0.87 PDPK1 (1.00) PDPK1PTPN1GSK3BCES2CES1
SCHEMBL658474 0.85 PDPK1 (0.56) PDPK1POLBUTS2RALDH1A1MAPT
SCHEMBL2142802 0.85 PDPK1 (0.55) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657707 0.83 PDPK1 (0.56) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL2141563 0.83 PDPK1 (0.63) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL658265 0.83 PDPK1 (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL10256955 0.82 POLB (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657374 0.82 KMT2A (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657492 0.82 PDPK1 (0.76) PDPK1POLBKMT2ACYP2C9CYP2C19

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 11 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
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-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.