SCHEMBL657488

SCHEMBL657488

O=C(CC(c1ccccc1)C(C(=O)O)C(=O)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.50
SGMS2 Q8NHU3 4/20 0.49
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
PARP1 P09874 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCB1 P08183 4/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL656116 0.92 KDM4E (0.47) PDPK1SGMS2NPC1HTTPARP1
SCHEMBL657429 0.87 ABCB1 (0.47) SGMS2NPC1HTTPARP1GAA
SCHEMBL10287437 0.82 MEN1 (0.48) PDPK1LMNAMAPTL3MBTL1MEN1
SCHEMBL657253 0.80 KDM4E (0.46) SGMS2NPC1HTTPARP1LMNA
SCHEMBL11605295 0.77 SGMS2 (0.52) SGMS2NPC1HTTGAAMEN1
SCHEMBL3679181 0.75 SGMS2 (0.60) SGMS2NPC1HTTPARP1GAA
SCHEMBL10286709 0.75 MAPT (0.43) PDPK1LMNAMAPTL3MBTL1MEN1
SCHEMBL3944560 0.75 HTT (0.57) SGMS2NPC1HTTPARP1GAA
SCHEMBL2999130 0.74 SGMS2 (0.59) SGMS2NPC1HTTPARP1GAA
SCHEMBL19156329 0.74 SGMS2 (0.59) SGMS2NPC1HTTPARP1GAA

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
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US 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 PDPK1 109/4885SGMS2 3581/4885NPC1 2687/4885

“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.