SCHEMBL659329

SCHEMBL659329

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.61
GABBR2 O75899 4/20 0.57
GABBR1 Q9UBS5 4/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.57
CYP2C9 P11712 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
NFKB1 P19838 1/20 0.57
DRD3 P35462 1/20 0.57
BLM P54132 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
THRB P10828 1/20 0.57
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.55
PTPN1 P18031 2/20 0.54
FNTA P49354 2/20 0.54

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
SCHEMBL10253260 0.93 CYP2C9 (0.65) PDPK1GABBR2GABBR1KMT2ALMNA
SCHEMBL28731474 0.88 L3MBTL1 (0.64) PDPK1GABBR2GABBR1KMT2ALMNA
SCHEMBL16616451 0.88 ATM (0.68) GABBR2GABBR1KMT2ALMNACYP2C9
SCHEMBL10252945 0.86 POLB (0.68) PDPK1GABBR2GABBR1KMT2ALMNA
SCHEMBL657052 0.86 CYP2C9 (0.56) PDPK1GABBR2GABBR1KMT2ALMNA
SCHEMBL10253431 0.84 ATM (0.59) GABBR2GABBR1KMT2ALMNAMEN1
SCHEMBL656354 0.84 PDPK1 (0.63) PDPK1GABBR2GABBR1KMT2ALMNA
SCHEMBL657081 0.84 ATM (0.55) GABBR2GABBR1KMT2ALMNAMEN1
SCHEMBL657966 0.83 MEN1 (0.59) GABBR2GABBR1KMT2ALMNACYP2C9
SCHEMBL657017 0.83 GABBR2 (0.52) PDPK1GABBR2GABBR1KMT2ALMNA

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 109/4885GABBR2 4480/4885GABBR1 4561/4885

“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.