SCHEMBL657017

SCHEMBL657017

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.52
GABBR1 Q9UBS5 3/20 0.52
LMNA P02545 2/20 0.52
CYP2C9 P11712 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
NFKB1 P19838 1/20 0.52
DRD3 P35462 1/20 0.52
BLM P54132 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 1/20 0.52
PDPK1 O15530 1/20 0.51
POLB P06746 2/20 0.47
UTS2R Q9UKP6 2/20 0.46
FFAR1 O14842 3/20 0.46

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 0.89 CYP2C9 (0.65) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL658415 0.87 PDPK1 (0.66) GABBR2GABBR1PDPK1FFAR1PTPN1
SCHEMBL29178241 0.84 FNTA (0.57) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL13385682 0.84 PDPK1 (0.46) LMNACYP2C9KMT2ACYP2C19THRB
SCHEMBL659329 0.83 PDPK1 (0.61) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL10252945 0.82 POLB (0.68) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL657052 0.82 CYP2C9 (0.56) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL657567 0.81 PDPK1 (0.78) LMNACYP2C9KMT2ACYP2D6CYP2C19
SCHEMBL13385520 0.81 POLB (0.52) LMNACYP2C9KMT2ACYP2C19THRB
SCHEMBL391659 0.79 GABBR2 (0.79) GABBR2GABBR1LMNACYP2C9KMT2A

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-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-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

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 GABBR2 4480/4885GABBR1 4561/4885LMNA 3119/4885

“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.