SCHEMBL658940

SCHEMBL658940

O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.50
GABBR1 Q9UBS5 4/20 0.50
FFAR1 O14842 2/20 0.50
MAPT P10636 1/20 0.45
MMP12 P39900 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ITGB3 P05106 3/20 0.44
ITGAV P06756 3/20 0.44
ITGA2B P08514 2/20 0.44
PTGS2 P35354 1/20 0.43
PRKCZ Q05513 1/20 0.43
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL9541616 0.90 GABBR2 (0.61) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL657290 0.90 GABBR2 (0.61) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL659200 0.89 GABBR2 (0.60) GABBR2GABBR1FFAR1MAPTMMP12
SCHEMBL658678 0.81 FNTA (0.50) GABBR2GABBR1FFAR1MAPTITGB3
SCHEMBL2471169 0.81 FNTA (0.50) GABBR2GABBR1FFAR1MAPTLMNA
SCHEMBL657719 0.81 FNTA (0.50) GABBR2GABBR1FFAR1MAPTITGB3
SCHEMBL657723 0.81 GABBR2 (0.65) GABBR2GABBR1FFAR1PRKCZLMNA
SCHEMBL656859 0.80 FNTA (0.46) GABBR2GABBR1CYP3A4CYP2D6
SCHEMBL5340895 0.79 L3MBTL1 (0.59) FFAR1ITGB3ITGAVKMT2A
SCHEMBL503819 0.78 GABBR2 (0.76) GABBR2GABBR1MAPTLMNACYP2C9

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 7 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
US-6649613-B1 Integrin inhibitors MERCK PATENT GMBH (DE) 2003-11-18 US 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 4561/4885FFAR1 4188/4885

“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.