SCHEMBL7052233

SCHEMBL7052233

Cn1cncc1C[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.49
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 2/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
AKT1 P31749 1/20 0.40
PTPN1 P18031 1/20 0.40
MAPK1 P28482 1/20 0.40
IDO1 P14902 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
SCHEMBL3007905 1.00 ACE (0.49) ACEITGA4ITGB7ITGB3ITGA2B
SCHEMBL3007900 1.00 ACE (0.49) ACEITGA4ITGB7ITGB3ITGA2B
SCHEMBL23824316 0.90 CTSL (0.47) ACEITGA4ITGB7CTSSCTSK
SCHEMBL23824319 0.90 CTSL (0.47) ACEITGA4ITGB7CTSSCTSK
SCHEMBL13301861 0.90 ACE (0.39) ACEITGA4ITGB7PPARAPPARG
SCHEMBL24807994 0.89 KLK5 (0.43) ACEITGA4ITGB7CTSSCTSK
SCHEMBL15729185 0.89 KLK5 (0.43) ACEITGA4ITGB7CTSSCTSK
SCHEMBL10609619 0.89 REN (0.41) ACEITGA4ITGB7CTSSCTSK
SCHEMBL634586 0.87 ITGA4 (0.45) ACEITGA4ITGB7
SCHEMBL6957298 0.85 ACE (0.50) ACEITGA4ITGB7ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216441-A1 Farnesyltransferase inhibitors WEINSTOCK, STEVEN F. 2003-11-20 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-20030216441-A1 Farnesyltransferase inhibitors FNTA, FNTB, LCAT ACE 451/4885ITGA4 2694/4885ITGB7 2782/4885

“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.