SCHEMBL1138974

SCHEMBL1138974

N#CC1(NC(=O)[C@@H]2CC[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.64
CTSL P07711 15/20 0.64
CTSK P43235 1/20 0.49

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
SCHEMBL1139016 1.00 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL1138853 1.00 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL1139649 1.00 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL7805843 0.88 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL7807285 0.88 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL1139417 0.86 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL12855885 0.86 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL12855905 0.86 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL1139323 0.86 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL15654101 0.86 CTSS (0.56) CTSSCTSL

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
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US claimed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US 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
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 2122/4885CTSK 2654/4885

“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.