SCHEMBL3797273

SCHEMBL3797273

CCCO[C@@H]1C[C@H](S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.44
RBP4 P02753 1/20 0.38
TACR1 P25103 1/20 0.36
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSK P43235 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD11B1 P28845 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3796987 1.00 CTSS (0.44) CTSSRBP4TACR1CTSLCTSB
SCHEMBL1140026 0.85 CTSS (0.46) CTSSRBP4KMT2AHSD11B1MEN1
SCHEMBL3796174 0.85 CTSS (0.46) CTSSRBP4KMT2AHSD11B1MEN1
SCHEMBL7800616 0.85 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL1139965 0.85 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL1139345 0.85 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL1139793 0.82 CTSS (0.43) CTSSRBP4KMT2AMEN1ALDH1A1
SCHEMBL3796981 0.82 CTSS (0.43) CTSSRBP4KMT2AMEN1ALDH1A1
SCHEMBL3800369 0.82 CTSS (0.40) CTSSTACR1CTSLCTSBCTSK
SCHEMBL3805200 0.82 CTSS (0.40) CTSSTACR1CTSLCTSBCTSK

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 2367/4885RBP4 3220/4885TACR1 26/4885

“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.