SCHEMBL3798003

SCHEMBL3798003

CO[C@H]1C[C@@H](S(=O)(=O)c2ccc(-c3ccccc3)cc2C(F)(F)F)C[C@@H]1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.36
FFAR4 Q5NUL3 5/20 0.36
LDHA P00338 1/20 0.35
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
ABCB11 O95342 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
DGAT1 O75907 1/20 0.33
ACLY P53396 1/20 0.33
ELOVL6 Q9H5J4 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
SCHEMBL3798932 1.00 CTSS (0.36) CTSSFFAR4LDHAMMP3MMP8
SCHEMBL3798425 0.93 FFAR4 (0.34) CTSSFFAR4ABCB11ITGB2ICAM1
SCHEMBL3797334 0.93 FFAR4 (0.34) CTSSFFAR4ABCB11ITGB2ICAM1
SCHEMBL3803532 0.91 KIF11 (0.42) CTSSABCB11
SCHEMBL3801236 0.91 KIF11 (0.42) CTSSABCB11
SCHEMBL3796937 0.90 KIF11 (0.41) CTSS
SCHEMBL3804098 0.90 KIF11 (0.41) CTSS
SCHEMBL3802265 0.90 FFAR4 (0.37) CTSSFFAR4ABCB11
SCHEMBL3801684 0.90 FFAR4 (0.37) CTSSFFAR4ABCB11
SCHEMBL3803547 0.88 CTSS (0.36) CTSSFFAR4ABCB11ITGB2ICAM1

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 1618/4885LDHA 3101/4885

“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.