SCHEMBL538352

SCHEMBL538352

CCCCCCCC1c2cc(OCCc3cn4c(n3)NCCC4)ccc2CC(CC(=O)O)C(=O)N1CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.44
ITGAV P06756 12/20 0.44
ITGA2B P08514 6/20 0.44
PPARA Q07869 7/20 0.33
PPARD Q03181 5/20 0.33
ITGB6 P18564 4/20 0.33
ITGB5 P18084 3/20 0.33
PPARG P37231 2/20 0.32
ITGB1 P05556 1/20 0.32

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
SCHEMBL538929 1.00 ITGB3 (0.44) ITGB3ITGAVITGA2BPPARAPPARD
Hydrochloric Acid SCHEMBL538366 0.99 ITGB3 (0.44) ITGB3ITGAVITGA2BPPARAPPARD
Hydrochloric Acid SCHEMBL537991 0.99 ITGB3 (0.44) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL538683 0.95 ITGB3 (0.46) ITGB3ITGAVITGA2BPPARAPPARD
Hydrochloric Acid SCHEMBL538176 0.94 ITGB3 (0.45) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL538585 0.93 ITGB3 (0.47) ITGB3ITGAVITGA2BPPARAITGB6
SCHEMBL2119815 0.93 ITGB3 (0.47) ITGB3ITGAVITGA2BPPARAITGB6
SCHEMBL2856751 0.93 ITGB3 (0.43) ITGB3ITGAVITGA2BPPARAITGB6
SCHEMBL2857672 0.93 ITGB3 (0.43) ITGB3ITGAVITGA2BPPARAITGB6
Hydrochloric Acid SCHEMBL538412 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BPPARAITGB6

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 14 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 claimed
EP-2221308-B1 BENZAZEPINONE COMPOUND UBE INDUSTRIES (JP) 2013-07-10 EP claimed
US-8377922-B2 Benzazepinone compound UBE INDUSTRIES, LTD. (JP) 2013-02-19 US claimed
US-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES UBE INDUSTRIES, LTD. (JP) 2012-04-19 US claimed
EP-2415474-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF OPHTHALMIC DISEASES Ube Industries, Ltd. (JP) 2012-02-08 EP claimed
US-20100249396-A1 BENZAZEPINONE COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-09-30 US claimed
EP-2221308-A1 BENZAZEPINONE COMPOUND Ube Industries, Ltd. (JP) 2010-08-25 EP claimed
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.