SCHEMBL7076928

SCHEMBL7076928

NCCOc1ccc2c(c1)NC(=O)C(CC(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.41
LCK P06239 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PPARG P37231 1/20 0.39
ITGB3 P05106 4/20 0.39
ITGAV P06756 4/20 0.39
ITGA2B P08514 2/20 0.39
PPARA Q07869 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGB5 P18084 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
SCHEMBL7073100 0.94 ITGB3 (0.43) PPARDMAOAMAOBPPARGITGB3
SCHEMBL7076695 0.93 ITGB3 (0.44) PPARDMAOAMAOBITGB3ITGAV
SCHEMBL7079103 0.87 HTT (0.40) PPARDLCKMAOAMAOBPPARG
SCHEMBL4623068 0.84 OPRK1 (0.46) PPARD
Trifluoroacetic Acid SCHEMBL7075230 0.83 AOC3 (0.36) PPARDLCKMAOAMAOBPPARG
Hydrochloric Acid SCHEMBL7071458 0.83 ITGB3 (0.40) PPARDMAOAMAOBITGB3ITGAV
Hydrochloric Acid SCHEMBL7071498 0.82 ITGB3 (0.42) PPARDMAOAMAOBITGB3ITGAV
SCHEMBL3450212 0.80 MAOA (0.50) PPARDMAOAMAOBPPARGITGB3
Trifluoroacetic Acid SCHEMBL7075914 0.78 CA12 (0.39) MAOAMAOBITGB3ITGAVITGA2B
SCHEMBL4621828 0.78 ESR2 (0.43) ITGB3ITGA2B

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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 PPARD 3395/4885LCK 3138/4885MAOA 2218/4885

“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.