SCHEMBL3798016

SCHEMBL3798016

O=C(O)[C@@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.69
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 2/20 0.52
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.41
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7804457 0.90 CTSS (0.68) CTSSCTSLCTSBCTSKHTT
SCHEMBL1139645 0.84 CTSS (0.68) CTSSCTSLCTSBCTSKHTT
SCHEMBL3799114 0.84 CTSS (0.68) CTSSCTSLCTSBCTSKHTT
SCHEMBL27868136 0.84 CTSS (0.68) CTSSCTSLCTSBCTSKHTT
SCHEMBL1139545 0.82 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL1139058 0.81 CTSS (0.77) CTSSCTSLCTSBCTSK
SCHEMBL3724819 0.81 CTSS (0.50) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL4740683 0.79 CTSS (0.55) CTSSHTTKMT2AAKR1C3ALDH1A1
SCHEMBL3798988 0.76 CTSS (0.43) CTSSCTSLCTSBKMT2ACYP2C19
SCHEMBL3797176 0.76 CTSS (0.43) CTSSCTSLCTSBKMT2ACYP2C19

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.