SCHEMBL656116

SCHEMBL656116

O=C(CC(c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PTGER1 P34995 1/20 0.45
SGMS2 Q8NHU3 3/20 0.44
PARP1 P09874 2/20 0.43
PARP2 Q9UGN5 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PDPK1 O15530 1/20 0.42
SLC1A5 Q15758 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
PPIA P62937 1/20 0.42

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
SCHEMBL657488 0.92 PDPK1 (0.50) SGMS2PARP1NPC1HTTMAPT
SCHEMBL657253 0.88 KDM4E (0.46) KDM4EPTGER1SGMS2PARP1PARP2
SCHEMBL10286709 0.84 MAPT (0.43) KDM4EMAPTPDPK1MEN1KMT2A
SCHEMBL657429 0.79 ABCB1 (0.47) PTGER1SGMS2PARP1NPC1HTT
SCHEMBL2141563 0.77 PDPK1 (0.63) MAPTPDPK1MEN1KMT2AGAA
SCHEMBL10287437 0.75 MEN1 (0.48) KDM4EMAPTPDPK1MEN1KMT2A
SCHEMBL1388182 0.74 PTGER1 (0.60) KDM4EPTGER1SGMS2PARP1HTT
SCHEMBL658265 0.74 PDPK1 (0.72) MAPTPDPK1MEN1KMT2A
SCHEMBL656058 0.74 PDPK1 (0.62) PDPK1MEN1KMT2A
SCHEMBL7344495 0.72 SGMS2 (0.59) PTGER1SGMS2PARP1NPC1HTT

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-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-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
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 KDM4E 1893/4885PTGER1 3878/4885SGMS2 3581/4885

“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.