SCHEMBL3794151

SCHEMBL3794151

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.40
FNTA P49354 1/20 0.39
PGGT1B P53609 1/20 0.39
CTSL P07711 6/20 0.38
CTSB P07858 5/20 0.38
ELOVL6 Q9H5J4 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.36
CTSK P43235 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
PGR P06401 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL3802037 1.00 CTSS (0.40) CTSSFNTAPGGT1BCTSLCTSB
SCHEMBL1139924 0.88 CTSS (0.44) CTSSCTSLCTSBELOVL6FAAH
SCHEMBL27851332 0.88 CTSS (0.44) CTSSCTSLCTSBELOVL6FAAH
SCHEMBL1705632 0.84 FFAR4 (0.52) FFAR4
SCHEMBL3801237 0.84 FFAR4 (0.52) FFAR4
SCHEMBL1140490 0.84 FFAR4 (0.52) FFAR4
SCHEMBL3796231 0.84 FFAR4 (0.52) FFAR4
SCHEMBL3797236 0.83 CTSS (0.39) CTSSFNTAPGGT1BCTSLCTSB
SCHEMBL3803526 0.83 CTSS (0.39) CTSSFNTAPGGT1BCTSLCTSB
SCHEMBL1139970 0.82 ELOVL6 (0.41) CTSSFNTAPGGT1BCTSLCTSB

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 2367/4885FNTA 475/4885PGGT1B 820/4885

“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.