SCHEMBL657084

SCHEMBL657084

O=C(CC(c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.68
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
SRD5A2 P31213 4/20 0.49
MMP1 P03956 1/20 0.49
PARP10 Q53GL7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL13385683 0.91 PDPK1 (0.56) PDPK1ERCC5FEN1SRD5A2MMP1
SCHEMBL2140616 0.87 PDPK1 (0.67) PDPK1L3MBTL1POLBSMN1; SMN2
SCHEMBL2141566 0.85 PDPK1 (0.78) PDPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL658086 0.85 NPC1 (0.54) PDPK1ERCC5FEN1SRD5A2MMP1
SCHEMBL657803 0.82 PDPK1 (0.47) PDPK1ERCC5FEN1SRD5A2MMP1
SCHEMBL657341 0.81 PDPK1 (0.72) PDPK1TSHR
SCHEMBL2142669 0.81 PDPK1 (0.72) PDPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL656820 0.81 PDPK1 (1.00) PDPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL10252711 0.81 PDPK1 (0.72) PDPK1TSHRPOLBSMN1; SMN2
SCHEMBL658265 0.81 PDPK1 (0.72) PDPK1MMP1L3MBTL1TSHRPOLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 109/4885ERCC5 3532/4885FEN1 3610/4885

“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.