SCHEMBL538357

SCHEMBL538357

CCOC(=O)CC1Cc2ccc(O)cc2CN(CC(F)(F)F)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.47
ITGAV P06756 4/20 0.47
ITGA2B P08514 3/20 0.47
HSD17B1 P14061 1/20 0.40
OPRM1 P35372 1/20 0.36
CALCRL Q16602 9/20 0.36
ABHD6 Q9BV23 1/20 0.35
MIF P14174 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL538078 1.00 ITGB3 (0.47) ITGB3ITGAVITGA2BHSD17B1OPRM1
SCHEMBL13688296 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL981045 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL4671293 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL12948918 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL6418802 0.85 ITGB3 (0.56) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL981179 0.85 ITGB3 (0.56) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL981119 0.85 ITGB3 (0.56) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL12922956 0.85 ITGB3 (0.56) ITGB3ITGAVITGA2BOPRM1CALCRL
SCHEMBL14182026 0.85 ITGB3 (0.44) ITGB3ITGAVITGA2BOPRM1CALCRL

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-2415474-B1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF OPHTHALMIC DISEASES UBE INDUSTRIES (JP) 2013-08-28 EP disclosed
EP-2221308-B1 BENZAZEPINONE COMPOUND UBE INDUSTRIES (JP) 2013-07-10 EP disclosed
US-8377922-B2 Benzazepinone compound UBE INDUSTRIES, LTD. (JP) 2013-02-19 US disclosed
US-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES UBE INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
EP-2415474-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF OPHTHALMIC DISEASES Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20100249396-A1 BENZAZEPINONE COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-09-30 US disclosed
EP-2221308-A1 BENZAZEPINONE COMPOUND Ube Industries, Ltd. (JP) 2010-08-25 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 (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-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES VEGFA, UACA, PGF ITGB3 1280/4885ITGAV 2836/4885ITGA2B 2740/4885
US-20100249396-A1 BENZAZEPINONE COMPOUND KCNJ11, KCNJ1, KCNJ2 ITGB3 3002/4885ITGAV 3792/4885ITGA2B 2977/4885

“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.