SCHEMBL371132

SCHEMBL371132

CCC(F)(F)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.53
CTSL P07711 5/20 0.53
CTSB P07858 3/20 0.53
CTSK P43235 7/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
TACR1 P25103 2/20 0.48
KYNU Q16719 1/20 0.48
SYK P43405 1/20 0.48

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
SCHEMBL1198823 0.91 KYNU (0.56) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1198821 0.91 KYNU (0.56) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL4411654 0.90 CTSL (0.51) CTSSCTSLCTSBCTSKITGB3
SCHEMBL4411661 0.90 CTSL (0.51) CTSSCTSLCTSBCTSKITGB3
SCHEMBL346550 0.88 CTSL (0.54) CTSSCTSLCTSBCTSKITGB3
SCHEMBL346551 0.88 CTSL (0.54) CTSSCTSLCTSBCTSKITGB3
SCHEMBL4314391 0.88 SIRT2 (0.52) CTSSCTSLCTSBCTSKITGB3
SCHEMBL4314399 0.88 SIRT2 (0.52) CTSSCTSLCTSBCTSKITGB3
SCHEMBL346954 0.87 CTSS (0.58) CTSSCTSLCTSBCTSKITGB3
SCHEMBL346953 0.87 CTSS (0.58) CTSSCTSLCTSBCTSKITGB3

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-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSS 24/4885CTSL 9/4885CTSB 31/4885

“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.