SCHEMBL658133

SCHEMBL658133

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 3/20 0.53
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 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
PDPK1 O15530 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL659643 0.93 PDPK1 (0.52) MGAMGAASIMGAM2PTPN1
SCHEMBL657297 0.90 MEN1 (0.51) MGAMGAASIMGAM2PTPN1
SCHEMBL656552 0.89 PTPN1 (0.50) MGAMGAASIMGAM2PTPN1
SCHEMBL13385510 0.85 GABBR2 (0.47) MGAMGAASIMGAM2PTPN1
SCHEMBL16616451 0.82 ATM (0.68) PTPN1GABBR2GABBR1SMN1; SMN2L3MBTL1
SCHEMBL657936 0.80 GABBR2 (0.50) GABBR2GABBR1FNTAFNTBKDM4E
SCHEMBL9345584 0.79 MGAM (0.51) MGAMGAASIMGAM2PTPN1
SCHEMBL657246 0.79 PDPK1 (0.71) MGAMGAASIMGAM2PTPN1
SCHEMBL657370 0.79 L3MBTL1 (0.60) PTPN1GABBR2GABBR1FNTAFNTB
SCHEMBL656354 0.78 PDPK1 (0.63) PTPN1GABBR2GABBR1SMN1; SMN2L3MBTL1

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 MGAM 2884/4885GAA 2370/4885SI 4394/4885

“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.