SCHEMBL3798952

SCHEMBL3798952

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.43
ELOVL6 Q9H5J4 1/20 0.42
CTSL P07711 4/20 0.41
CTSB P07858 3/20 0.41
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35

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
SCHEMBL1140214 1.00 CTSS (0.43) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL3797176 1.00 CTSS (0.43) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL3798988 1.00 CTSS (0.43) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL1139568 0.84 CTSS (0.47) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL1139758 0.79 AKR1C3 (0.45) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL1139433 0.79 CTSS (0.44) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL3803577 0.79 CTSS (0.44) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL1707007 0.79 CTSS (0.44) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL3799423 0.79 CTSS (0.44) CTSSELOVL6CTSLCTSBCYP2C19
SCHEMBL1139531 0.78 CTSS (0.68) CTSSCTSLCTSB

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 2367/4885ELOVL6 2985/4885CTSL 2122/4885

“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.