SCHEMBL538079

SCHEMBL538079

CCC1c2cc(O)ccc2C[C@@H](CC(=O)O)C(=O)N1CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.39
ITGA2B P08514 6/20 0.39
ITGAV P06756 4/20 0.39
OPRM1 P35372 4/20 0.37
OPRK1 P41145 4/20 0.37
MEN1 O00255 2/20 0.34
GLA P06280 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 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
SCHEMBL538358 1.00 ITGB3 (0.39) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL4672395 0.88 ITGB3 (0.40) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL981047 0.88 ITGB3 (0.40) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL981179 0.76 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL981119 0.76 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL6418802 0.76 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL12922956 0.76 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL538168 0.76 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL2123494 0.74 ITGB3 (0.50) ITGB3ITGA2BITGAVNPC1HPGD
SCHEMBL6942400 0.74 ITGB3 (0.41) ITGB3ITGA2BOPRM1OPRK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES VEGFA, UACA, PGF ITGB3 1280/4885ITGA2B 2740/4885ITGAV 2836/4885

“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.