SCHEMBL7096103

SCHEMBL7096103

O=C(O)[C@H](Cc1ccccc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.40
▸ FABP7 O15540 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ CPA1 P15085 6/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL8694632 0.94 EPHX2 (0.38) FABP5FABP7KMT2APPARGPPARA
SCHEMBL15083099 0.83 PPARG (0.43) FABP5FABP7KMT2APPARGPPARA
SCHEMBL29540316 0.83 PPARG (0.43) FABP5FABP7KMT2APPARGPPARA
SCHEMBL16288980 0.83 PPARG (0.43) FABP5FABP7KMT2APPARGPPARA
SCHEMBL30744235 0.83 PPARG (0.43) FABP5FABP7KMT2APPARGPPARA
SCHEMBL118926 0.81 ITGB3 (0.45) FABP5FABP7KMT2APPARGPPARA
SCHEMBL7100601 0.81 FABP5 (0.43) FABP5FABP7KMT2APPARGPPARA
SCHEMBL120592 0.81 ITGB3 (0.45) FABP5FABP7KMT2APPARGPPARA
SCHEMBL120595 0.81 ITGB3 (0.45) FABP5FABP7KMT2APPARGPPARA
SCHEMBL29633817 0.81 ITGB3 (0.45) FABP5FABP7KMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114514-A1 Pharmaceutical compositions containing anti-beta 1 integrin compounds and uses BIOGEN IDEC MA INC. 2003-06-19 — — US disclosed
EP-1253923-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING ANTI-BETA 1 INTEGRIN COMPOUNDS AND USES BIOGEN, INC. (US) 2002-11-06 — — EP disclosed
WO-2001054690-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING ANTI-BETA 1 INTEGRIN COMPOUNDS AND USES BIOGEN, INC. (US) 2001-08-02 — — WO 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-20030114514-A1 Pharmaceutical compositions containing anti-beta 1 integrin compounds and uses ITGB1, ITGA1, ITGB2 FABP5 2044/4885FABP7 2202/4885KMT2A 4719/4885

“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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