SCHEMBL3797958

SCHEMBL3797958

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1OCc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.37
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ELOVL6 Q9H5J4 1/20 0.35
CTSB P07858 3/20 0.34
CTSK P43235 2/20 0.34
TACR1 P25103 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3802518 1.00 CTSS (0.38) CTSSCTSLFAAHALDH1A1CA12
SCHEMBL3797236 0.92 CTSS (0.39) CTSSCTSLALDH1A1FFAR4ELOVL6
SCHEMBL3803526 0.92 CTSS (0.39) CTSSCTSLALDH1A1FFAR4ELOVL6
SCHEMBL1140303 0.90 CTSS (0.40) CTSSCTSLFAAHALDH1A1FFAR4
SCHEMBL3799212 0.88 S1PR1 (0.40) CTSSALDH1A1FFAR4TACR1
SCHEMBL3794163 0.88 S1PR1 (0.40) CTSSALDH1A1FFAR4TACR1
SCHEMBL15654692 0.88 S1PR1 (0.40) CTSSALDH1A1FFAR4TACR1
SCHEMBL3804154 0.85 FFAR4 (0.40) CTSSALDH1A1FFAR4ELOVL6TACR1
SCHEMBL3798978 0.85 FFAR4 (0.40) CTSSALDH1A1FFAR4ELOVL6TACR1
SCHEMBL1139299 0.82 CTSL (0.57) 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 4 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 claimed
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 US claimed
EP-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP 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 2122/4885FAAH 640/4885

“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.