SCHEMBL1139463

SCHEMBL1139463

N#CC1(NC(=O)[C@H]2C[C@H](S(=O)(=O)c3ccccc3Cl)C[C@@H]2OCc2ccc(Cl)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.57
CTSS P25774 14/20 0.53
CTSB P07858 3/20 0.53

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
SCHEMBL1139681 1.00 CTSL (0.57) CTSLCTSSCTSB
SCHEMBL15678542 1.00 CTSL (0.57) CTSLCTSSCTSB
SCHEMBL1139998 0.91 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL15654517 0.91 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL15678438 0.91 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL7808905 0.91 CTSL (0.55) CTSLCTSSCTSB
SCHEMBL1139447 0.91 CTSL (0.55) CTSLCTSSCTSB
SCHEMBL1139794 0.91 CTSL (0.55) CTSLCTSSCTSB
SCHEMBL1139263 0.91 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL1138779 0.90 CTSL (0.52) CTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US claimed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
WO-2010142650-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 US disclosed
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 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-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES TBXA2R, ADORA1, CNR1 CTSL 2122/4885CTSS 2367/4885CTSB 1975/4885

“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.