SCHEMBL1140071

SCHEMBL1140071

N#CCOC(=O)[C@]1(C(N)=O)C[C@H](S(=O)(=O)c2cccc3ccccc23)C[C@H]1C(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.41
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSK P43235 2/20 0.37
F2 P00734 1/20 0.37
ALDH1A1 P00352 3/20 0.35
PREP P48147 1/20 0.33
CNR1 P21554 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 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
SCHEMBL1139547 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1139393 0.87 CTSS (0.50) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1139151 0.87 CTSS (0.54) CTSSCTSLCTSBCTSK
SCHEMBL1137915 0.83 CTSS (0.36) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1139788 0.83 CTSS (0.42) CTSSCTSLCTSBCTSKF2
SCHEMBL1139100 0.82 CTSS (0.39) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1139054 0.82 CTSS (0.43) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1138672 0.81 CTSS (0.40) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1139367 0.79 CTSS (0.36) CTSSCTSLCTSBCTSKNPC1
SCHEMBL1138994 0.78 CTSS (0.48) CTSSCTSLCTSBCTSKALDH1A1

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 10 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
EP-2440521-A1 NOVEL CYCLOPENTANE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-04-18 EP claimed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US claimed
WO-2010142650-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO 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
EP-2440521-A1 NOVEL CYCLOPENTANE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
WO-2010142650-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO 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.