SCHEMBL3797167

SCHEMBL3797167

O=C(O)[C@@H]1C[C@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)N1CC(O)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.64
CTSL P07711 14/20 0.64
CTSB P07858 14/20 0.64
CTSK P43235 2/20 0.47
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ELOVL6 Q9H5J4 2/20 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
SCHEMBL3796217 0.87 CTSS (0.66) CTSSCTSLCTSBCTSKELOVL6
SCHEMBL15654495 0.87 CTSS (0.66) CTSSCTSLCTSBCTSKELOVL6
SCHEMBL3801137 0.85 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL3803533 0.85 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL3801255 0.85 CTSS (0.67) CTSSCTSLCTSBCTSK
SCHEMBL3800356 0.85 CTSS (0.67) CTSSCTSLCTSBCTSKGRIN1
SCHEMBL3797268 0.85 CTSS (0.49) CTSSCTSLCTSBCTSKGRIN1
SCHEMBL15654210 0.84 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL3805217 0.84 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL3801677 0.82 CTSS (0.47) CTSSCTSLCTSBCTSKGRIN1

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 2122/4885CTSB 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.