SCHEMBL346551

SCHEMBL346551

O=C(NC(CC(F)(F)Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.54
CTSS P25774 3/20 0.54
CTSB P07858 2/20 0.54
PPARA Q07869 3/20 0.53
PPARG P37231 1/20 0.53
ITGB3 P05106 6/20 0.50
ITGA2B P08514 6/20 0.50
CTSK P43235 3/20 0.49
TACR1 P25103 2/20 0.49
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CTRB1 P17538 2/20 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
SCHEMBL346550 1.00 CTSL (0.54) CTSLCTSSCTSBPPARAPPARG
SCHEMBL345033 0.90 KYNU (0.56) CTSLCTSSCTSBCTSKTACR1
SCHEMBL1200439 0.90 KYNU (0.56) CTSLCTSSCTSBCTSKTACR1
SCHEMBL371132 0.88 CTSS (0.53) CTSLCTSSCTSBPPARAPPARG
SCHEMBL346953 0.88 CTSS (0.58) CTSLCTSSCTSBPPARAPPARG
SCHEMBL346954 0.88 CTSS (0.58) CTSLCTSSCTSBPPARAPPARG
SCHEMBL954858 0.88 CTSL (0.54) CTSLCTSSCTSBPPARAPPARG
SCHEMBL2627413 0.88 CTSL (0.54) CTSLCTSSCTSBPPARAPPARG
SCHEMBL954856 0.88 CTSL (0.54) CTSLCTSSCTSBPPARAPPARG
SCHEMBL4411661 0.86 CTSL (0.51) CTSLCTSSCTSBPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
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
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 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 (3 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSL 9/4885CTSS 24/4885CTSB 31/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSL 9/4885CTSS 24/4885CTSB 31/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSL 9/4885CTSS 24/4885CTSB 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.