SCHEMBL14873511

SCHEMBL14873511

COc1ccccc1-c1ccc(C[C@H](CC(=O)O)NC(=O)/C(=C/CC(=O)O)NN)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 10/20 0.63
▸ MMEL1 Q495T6 4/20 0.63
▸ ITGA4 P13612 7/20 0.47
▸ ITGB1 P05556 6/20 0.47
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ITGB7 P26010 2/20 0.44

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
SCHEMBL14870674 0.81 MME (0.66) MMEMMEL1ITGA4ITGB1PPARG
SCHEMBL2875501 0.78 MME (1.00) MMEMMEL1
SCHEMBL2875506 0.78 MME (1.00) MMEMMEL1
SCHEMBL15939858 0.76 MMEL1 (0.74) MMEMMEL1ITGA4ITGB1
SCHEMBL7446938 0.73 MME (0.63) MMEMMEL1ITGA4ITGB1PPARG
SCHEMBL2878314 0.72 MMEL1 (0.74) MMEMMEL1ITGA4ITGB1ITGB7
SCHEMBL2873249 0.72 MMEL1 (0.74) MMEMMEL1ITGA4ITGB1
SCHEMBL14959402 0.72 MME (0.63) MMEMMEL1ITGA4ITGB1
SCHEMBL2873241 0.72 MMEL1 (0.74) MMEMMEL1ITGA4ITGB1
SCHEMBL14873420 0.71 MMEL1 (0.60) MMEMMEL1

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
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 — — EP disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 — — 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-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MME 1/4885MMEL1 299/4885ITGA4 3883/4885

“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.

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