SCHEMBL3801684

SCHEMBL3801684

CO[C@@H]1C[C@H](S(=O)(=O)c2ccc(-c3ccc(F)c(F)c3)cc2C(F)(F)F)C[C@H]1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.37
CTSS P25774 10/20 0.35
KIF11 P52732 3/20 0.33
ABCB11 O95342 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
SCHEMBL3802265 1.00 FFAR4 (0.37) FFAR4CTSSKIF11ABCB11
SCHEMBL3797334 0.91 FFAR4 (0.34) FFAR4CTSSKIF11ABCB11
SCHEMBL3798425 0.91 FFAR4 (0.34) FFAR4CTSSKIF11ABCB11
SCHEMBL3798932 0.90 CTSS (0.36) FFAR4CTSSABCB11
SCHEMBL3798003 0.90 CTSS (0.36) FFAR4CTSSABCB11
SCHEMBL3803532 0.87 KIF11 (0.42) CTSSKIF11ABCB11
SCHEMBL3801236 0.87 KIF11 (0.42) CTSSKIF11ABCB11
SCHEMBL3797948 0.87 FFAR4 (0.37) FFAR4CTSSABCB11
SCHEMBL3803020 0.87 FFAR4 (0.37) FFAR4CTSSABCB11
SCHEMBL3803547 0.86 CTSS (0.36) FFAR4CTSSABCB11

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 FFAR4 1618/4885CTSS 2367/4885KIF11 2764/4885

“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.