SCHEMBL3801236

SCHEMBL3801236

CO[C@@H]1C[C@H](S(=O)(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2C(F)(F)F)C[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
ABCB11 O95342 1/20 0.36
PTGS2 P35354 5/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CTSS P25774 4/20 0.34
NR1H2 P55055 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PTGS1 P23219 3/20 0.33
MAP4K4 O95819 1/20 0.33
KCNH2 Q12809 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL3803532 1.00 KIF11 (0.42) KIF11ABCB11PTGS2PTGDR2CTSS
SCHEMBL3796937 0.91 KIF11 (0.41) KIF11PTGS2CTSSPTGS1GPR119
SCHEMBL3804098 0.91 KIF11 (0.41) KIF11PTGS2CTSSPTGS1GPR119
SCHEMBL3798003 0.91 CTSS (0.36) ABCB11CTSS
SCHEMBL3798932 0.91 CTSS (0.36) ABCB11CTSS
SCHEMBL3797334 0.90 FFAR4 (0.34) KIF11ABCB11CTSS
SCHEMBL3798425 0.90 FFAR4 (0.34) KIF11ABCB11CTSS
SCHEMBL3800791 0.89 PIK3C3 (0.35) KIF11ABCB11CTSSNR1H2PIK3CA
SCHEMBL3798949 0.89 PIK3C3 (0.35) KIF11ABCB11CTSSNR1H2PIK3CA
SCHEMBL3802265 0.87 FFAR4 (0.37) KIF11ABCB11CTSS

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 KIF11 2764/4885ABCB11 102/4885PTGS2 246/4885

“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.