SCHEMBL657537

SCHEMBL657537

COc1ccc2cc(C(=O)CC(c3ccccc3)C(C(=O)O)C(=O)O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.56
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.52
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C3 P42330 6/20 0.48
AKR1C2 P52895 6/20 0.48
PTGS1 P23219 3/20 0.48
AKR1C1 Q04828 1/20 0.48
PTGS2 P35354 3/20 0.48
CDC42 P60953 1/20 0.48
RAC1 P63000 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL657072 0.88 ALDH1A1 (0.51) PDPK1CYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL2140616 0.88 PDPK1 (0.67) PDPK1ALDH1A1MGAMGAASI
SCHEMBL657246 0.86 PDPK1 (0.71) PDPK1ALDH1A1HPGDKDM4EMGAM
SCHEMBL656362 0.85 ALDH1A1 (0.48) PDPK1CYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL13385707 0.84 ALDH1A1 (0.50) CYP1A2ALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL13385668 0.83 CYP1A2 (0.49) PDPK1CYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL2138586 0.82 L3MBTL1 (0.71) PDPK1ALDH1A1MGAMGAASI
SCHEMBL657675 0.81 PDPK1 (0.81) PDPK1ALDH1A1HPGDKDM4EMGAM
SCHEMBL10287703 0.80 ALDH1A1 (0.48) CYP1A2ALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL657980 0.80 ALDH1A1 (0.48) CYP1A2ALDH1A1HPGDCYP2C19HSD17B10

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 109/4885CYP1A2 4611/4885ALDH1A1 4784/4885

“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.