SCHEMBL7962021

SCHEMBL7962021

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
CTSA P10619 3/20 0.43
S1PR3 Q99500 1/20 0.41
CYP26A1 O43174 3/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
CTSS P25774 4/20 0.40
CTSK P43235 4/20 0.40
POLB P06746 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL16689312 1.00 ITGB3 (0.47) ITGB3ITGA2BCTSAS1PR3CYP26A1
SCHEMBL16689353 0.89 CYP26A1 (0.46) CTSAS1PR3CYP26A1ITGB1ITGA4
SCHEMBL17697902 0.89 CYP26A1 (0.46) CTSAS1PR3CYP26A1ITGB1ITGA4
SCHEMBL19283535 0.89 CTSS (0.43) ITGB3ITGA2BCTSAS1PR3CYP26A1
SCHEMBL20139043 0.88 POLB (0.49) CTSAPOLBAAK1
SCHEMBL21271453 0.88 POLB (0.49) CTSAPOLBAAK1
SCHEMBL20907724 0.87 AAK1 (0.41) S1PR3CTSSCTSKPOLBAAK1
SCHEMBL5662378 0.87 AAK1 (0.41) S1PR3CTSSCTSKPOLBAAK1
SCHEMBL22805510 0.86 APP (0.42) ITGB3ITGA2BS1PR3CTSSCTSK
SCHEMBL29582295 0.86 APP (0.42) ITGB3ITGA2BS1PR3CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237441-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-08-23 US disclosed
EP-3350185-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-07-25 EP disclosed
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 US disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 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 (2 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-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS TNNI3, NME4, TNNT2 ITGB3 4507/4885ITGA2B 4687/4885CTSA 4383/4885
US-20180237441-A1 Chemical Compounds PSEN1, IRS1, CPT1A ITGB3 2529/4885ITGA2B 3963/4885CTSA 1601/4885

“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.