SCHEMBL657374

SCHEMBL657374

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
PDPK1 O15530 5/20 0.55
POLB P06746 2/20 0.54
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.48
CYP2D6 P10635 1/20 0.47
GSK3B P49841 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44

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 0.92 PDPK1 (0.62) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL657707 0.87 PDPK1 (0.56) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL657341 0.86 PDPK1 (0.72) KMT2APDPK1MEN1GSK3B
SCHEMBL658265 0.86 PDPK1 (0.72) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL2141563 0.86 PDPK1 (0.63) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL2142802 0.85 PDPK1 (0.55) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL657492 0.85 PDPK1 (0.76) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL10256955 0.85 POLB (0.72) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL7828782 0.84 KMT2A (1.00) KMT2APDPK1POLBCYP2C9CYP2C19
SCHEMBL7824342 0.84 KMT2A (1.00) KMT2APDPK1POLBCYP2C9CYP2C19

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 10 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
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 KMT2A 1777/4885PDPK1 109/4885POLB 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.