SCHEMBL7798496

SCHEMBL7798496

Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(N)=O)[C@H](C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55
CTSK P43235 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7806295 0.87 CTSS (0.54) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL1139049 0.81 CTSS (0.84) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL3799114 0.78 CTSS (0.68) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL27868136 0.78 CTSS (0.68) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL1139645 0.78 CTSS (0.68) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL7804457 0.77 CTSS (0.68) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL1139296 0.76 CTSS (0.66) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL27851182 0.76 CTSS (0.66) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL15678492 0.76 CTSS (0.74) CTSSCTSLCTSBCTSKHTT
SCHEMBL7809642 0.75 CTSS (0.69) CTSSCTSLCTSBCTSKKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.