SCHEMBL3798567

SCHEMBL3798567

O=C(O)[C@H]1CC[C@@H](S(=O)(=O)c2ccc(OCC(F)(F)F)cc2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.49
CTSL P07711 11/20 0.46
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3802602 1.00 CTSS (0.49) CTSSCTSLPPARGPPARDPPARA
SCHEMBL3796086 1.00 CTSS (0.49) CTSSCTSLPPARGPPARDPPARA
SCHEMBL3793822 1.00 CTSS (0.49) CTSSCTSLPPARGPPARDPPARA
SCHEMBL3793817 1.00 CTSS (0.49) CTSSCTSLPPARGPPARDPPARA
SCHEMBL7805843 0.85 CTSS (0.50) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL7807285 0.85 CTSS (0.50) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1139342 0.82 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL1140147 0.82 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL1139340 0.82 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL1140149 0.82 CTSS (0.50) CTSSCTSLCTSBCTSK

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 2367/4885CTSL 2122/4885PPARG 2111/4885

“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.