SCHEMBL1139937

SCHEMBL1139937

COC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)C[C@@H]1OC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 2/20 0.42
CTSS P25774 9/20 0.41
CTSL P07711 7/20 0.38
CTSB P07858 6/20 0.38
CTSK P43235 4/20 0.37
FAAH O00519 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL1139970 0.90 ELOVL6 (0.41) ELOVL6CTSSCTSLCTSBCTSK
SCHEMBL27851332 0.84 CTSS (0.44) ELOVL6CTSSCTSLCTSBCTSK
SCHEMBL1139924 0.84 CTSS (0.44) ELOVL6CTSSCTSLCTSBCTSK
SCHEMBL15678435 0.82 CTSS (0.59) CTSSCTSLCTSB
SCHEMBL1139512 0.82 CTSS (0.59) CTSSCTSLCTSB
SCHEMBL7807983 0.82 CTSS (0.59) CTSSCTSLCTSB
SCHEMBL1139413 0.82 CTSS (0.59) CTSSCTSLCTSB
SCHEMBL1139568 0.78 CTSS (0.47) ELOVL6CTSSCTSLCTSB
SCHEMBL1140192 0.76 CTSS (0.56) CTSSCTSLCTSB
SCHEMBL15678495 0.76 CTSS (0.56) CTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 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 ELOVL6 2985/4885CTSS 2367/4885CTSL 2122/4885

“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.