SCHEMBL7544562

SCHEMBL7544562

O=C(O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(CC(=O)O)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.55
MMP1 P03956 1/20 0.52
ITGB1 P05556 4/20 0.50
ITGA4 P13612 4/20 0.50
TACR2 P21452 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7543971 0.89 MMP1 (0.54) MMP1ITGB1ITGA4
SCHEMBL3706048 0.85 MMP1 (0.70) MMP1ITGB1ITGA4
SCHEMBL3706050 0.85 MMP1 (0.70) MMP1ITGB1ITGA4
SCHEMBL3709737 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7540140 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL3709738 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7540252 0.83 MMP1 (0.48) MMP1ITGB1ITGA4TACR2L3MBTL1
SCHEMBL3707734 0.80 ITGB1 (0.52) MMP1ITGB1ITGA4
SCHEMBL3707731 0.80 ITGB1 (0.52) MMP1ITGB1ITGA4
SCHEMBL7546170 0.79 ITGB1 (0.51) MMP1ITGB1ITGA4

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-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 MMEL1 1000/4885MMP1 1708/4885ITGB1 4710/4885

“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.