SCHEMBL1139924

SCHEMBL1139924

COC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)C[C@@H]1Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.44
CTSL P07711 8/20 0.40
CTSB P07858 7/20 0.40
ELOVL6 Q9H5J4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.36
CTSK P43235 5/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
NSD2 O96028 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 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
SCHEMBL27851332 1.00 CTSS (0.44) CTSSCTSLCTSBELOVL6L3MBTL1
SCHEMBL3802037 0.88 CTSS (0.40) CTSSCTSLCTSBELOVL6SMN1; SMN2
SCHEMBL3794151 0.88 CTSS (0.40) CTSSCTSLCTSBELOVL6SMN1; SMN2
SCHEMBL1139937 0.84 ELOVL6 (0.42) CTSSCTSLCTSBELOVL6FAAH
SCHEMBL1139568 0.80 CTSS (0.47) CTSSCTSLCTSBELOVL6L3MBTL1
SCHEMBL12856053 0.80 CTSS (0.49) CTSSCTSLCTSB
SCHEMBL12856054 0.80 CTSS (0.49) CTSSCTSLCTSB
SCHEMBL1139250 0.80 CTSS (0.60) CTSSCTSLCTSB
SCHEMBL1139248 0.80 CTSS (0.60) CTSSCTSLCTSB
SCHEMBL1139819 0.77 CTSS (0.44) CTSSELOVL6SMN1; SMN2

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 CTSS 2367/4885CTSL 2122/4885CTSB 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.