SCHEMBL657117

SCHEMBL657117

O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.53
ITGAV P06756 2/20 0.46
ITGB6 P18564 2/20 0.46
ITGB8 P26012 2/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
KDR P35968 1/20 0.40
SLC6A3 Q01959 5/20 0.40
PDK1 Q15118 1/20 0.40
CASR P41180 1/20 0.40
GABBR2 O75899 3/20 0.38
GABBR1 Q9UBS5 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
NFKB1 P19838 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL8798403 0.83 PRKCZ (0.48) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL657182 0.83 PRKCZ (0.48) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL657179 0.82 FFAR1 (0.47) PRKCZPPARGPPARAGABBR2GABBR1
SCHEMBL657723 0.75 GABBR2 (0.65) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL7802823 0.75 GABBR2 (0.41) ITGAVITGB6GABBR2GABBR1LMNA
SCHEMBL658250 0.73 FNTA (0.50) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL1532918 0.73 PRKCZ (0.54) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL12268167 0.72 FNTA (0.47) PRKCZSLC6A3LMNA
SCHEMBL658678 0.72 FNTA (0.50) ITGAVGABBR2GABBR1LMNACYP2C9
SCHEMBL7268346 0.72 GABBR2 (0.44) PRKCZITGAVITGB6GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 PRKCZ 26/4885ITGAV 4196/4885ITGB6 3727/4885

“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.