SCHEMBL3798978

SCHEMBL3798978

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1OCc1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
GRM2 Q14416 2/20 0.40
GRM3 Q14832 2/20 0.40
DRD4 P21917 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
DRD3 P35462 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
CTSS P25774 2/20 0.36
TACR1 P25103 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CCR1 P32246 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
SCHEMBL3804154 1.00 FFAR4 (0.40) FFAR4GRM2GRM3DRD4SIGMAR1
SCHEMBL15654692 0.91 S1PR1 (0.40) FFAR4GRM2GRM3SIGMAR1S1PR1
SCHEMBL3794163 0.91 S1PR1 (0.40) FFAR4GRM2GRM3SIGMAR1S1PR1
SCHEMBL3799212 0.91 S1PR1 (0.40) FFAR4GRM2GRM3SIGMAR1S1PR1
SCHEMBL3803526 0.87 CTSS (0.39) FFAR4CTSSTACR1ELOVL6ALDH1A1
SCHEMBL3797236 0.87 CTSS (0.39) FFAR4CTSSTACR1ELOVL6ALDH1A1
SCHEMBL3797621 0.85 CTSS (0.39) FFAR4CTSSTACR1ELOVL6
SCHEMBL3804134 0.85 CTSS (0.39) FFAR4CTSSTACR1ELOVL6
SCHEMBL3802518 0.85 CTSS (0.38) FFAR4CTSSTACR1ELOVL6ALDH1A1
SCHEMBL1140303 0.85 CTSS (0.40) FFAR4CTSSELOVL6ALDH1A1

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 1618/4885GRM2 2416/4885GRM3 2161/4885

“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.