SCHEMBL1139788

SCHEMBL1139788

Cc1cccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)N3CCOCC3)[C@](C(N)=O)(C(=O)OCC#N)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
F2 P00734 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL1139054 0.90 CTSS (0.43) CTSSCTSLCTSBCTSKLMNA
SCHEMBL1139393 0.90 CTSS (0.50) CTSSCTSLCTSBCTSKHTT
SCHEMBL1139367 0.85 CTSS (0.36) CTSSCTSLCTSBCTSKLMNA
SCHEMBL1138672 0.83 CTSS (0.40) CTSSCTSLCTSBCTSKLMNA
SCHEMBL1140071 0.83 CTSS (0.41) CTSSCTSLCTSBCTSKF2
SCHEMBL1139547 0.83 CTSS (0.53) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1137915 0.81 CTSS (0.36) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1139100 0.81 CTSS (0.39) CTSSCTSLCTSBCTSKHTT
SCHEMBL1139151 0.81 CTSS (0.54) CTSSCTSLCTSBCTSK
SCHEMBL1139138 0.79 CTSS (0.35) CTSSCTSLCTSBCTSKLMNA

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 6 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-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US 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-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US 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 2122/4885CTSB 1975/4885

“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.