SCHEMBL3797236

SCHEMBL3797236

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.37
CTSL P07711 5/20 0.37
CTSB P07858 4/20 0.37
ELOVL6 Q9H5J4 1/20 0.36
CTSK P43235 2/20 0.35
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
TACR1 P25103 1/20 0.35
FFAR2 O15552 1/20 0.35
STS P08842 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
SCHEMBL3803526 1.00 CTSS (0.39) CTSSFFAR4ALDH1A1CYP1A2CYP3A4
SCHEMBL3802518 0.92 CTSS (0.38) CTSSFFAR4ALDH1A1CTSLCTSB
SCHEMBL1140303 0.92 CTSS (0.40) CTSSFFAR4ALDH1A1CTSLCTSB
SCHEMBL3797958 0.92 CTSS (0.38) CTSSFFAR4ALDH1A1CTSLCTSB
SCHEMBL3799212 0.89 S1PR1 (0.40) CTSSFFAR4ALDH1A1NPSR1TACR1
SCHEMBL15654692 0.89 S1PR1 (0.40) CTSSFFAR4ALDH1A1NPSR1TACR1
SCHEMBL3794163 0.89 S1PR1 (0.40) CTSSFFAR4ALDH1A1NPSR1TACR1
SCHEMBL3799037 0.89 FFAR4 (0.41) FFAR4ALDH1A1
SCHEMBL3796077 0.89 FFAR4 (0.41) FFAR4ALDH1A1
SCHEMBL3805200 0.87 CTSS (0.40) CTSSFFAR4ALDH1A1CYP1A2CYP3A4

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 2367/4885FFAR4 1618/4885ALDH1A1 125/4885

“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.