SCHEMBL657246

SCHEMBL657246

O=C(CC(c1ccccc1)C(C(=O)O)C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.71
MGAM O43451 4/20 0.53
GAA P10253 4/20 0.53
SI P14410 4/20 0.53
MGAM2 Q2M2H8 4/20 0.53
PTPN1 P18031 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GABRB1 P18505 1/20 0.42
GABRB2 P47870 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
SCHEMBL657675 0.94 PDPK1 (0.81) PDPK1MGAMGAASIMGAM2
SCHEMBL657993 0.89 PDPK1 (0.65) PDPK1MGAMGAASIMGAM2
SCHEMBL657537 0.86 PDPK1 (0.56) PDPK1MGAMGAASIMGAM2
SCHEMBL656638 0.84 PDPK1 (0.53) PDPK1MGAMGAASIMGAM2
SCHEMBL656352 0.84 PDPK1 (1.00) PDPK1MGAMGAASIMGAM2
SCHEMBL2141566 0.82 PDPK1 (0.78) PDPK1MGAMGAASIMGAM2
SCHEMBL657948 0.81 PDPK1 (0.50) PDPK1MGAMGAASIMGAM2
SCHEMBL10033956 0.79 MGAM (0.51) PDPK1MGAMGAASIMGAM2
SCHEMBL658133 0.79 MGAM (0.53) PDPK1MGAMGAASIMGAM2
SCHEMBL657084 0.79 PDPK1 (0.68) PDPK1SMN1; SMN2

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 16 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-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
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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 PDPK1 109/4885MGAM 2884/4885GAA 2370/4885

“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.