SCHEMBL1139403

SCHEMBL1139403

O=S(=O)(c1ccccc1Cl)[C@@H]1C[C@@H]2O[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.44
CTSS P25774 12/20 0.43
CTSL P07711 4/20 0.42
CTSB P07858 3/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL1140093 1.00 ELOVL6 (0.44) ELOVL6CTSSCTSLCTSBALDH1A1
SCHEMBL1139404 1.00 ELOVL6 (0.44) ELOVL6CTSSCTSLCTSBALDH1A1
SCHEMBL28039072 0.80 ALDH1A1 (0.51) ELOVL6CTSSCTSLCTSBALDH1A1
SCHEMBL3223437 0.72 HTR6 (0.47) ELOVL6CTSSALDH1A1L3MBTL1HTR2A
SCHEMBL1140214 0.72 CTSS (0.43) ELOVL6CTSSCTSLCTSBALDH1A1
SCHEMBL3798952 0.72 CTSS (0.43) ELOVL6CTSSCTSLCTSBALDH1A1
SCHEMBL3798988 0.72 CTSS (0.43) ELOVL6CTSSCTSLCTSBALDH1A1
SCHEMBL3797176 0.72 CTSS (0.43) ELOVL6CTSSCTSLCTSBALDH1A1
SCHEMBL1139591 0.71 CTSS (0.45) ELOVL6CTSSCTSLCTSB
SCHEMBL1139758 0.71 AKR1C3 (0.45) ELOVL6CTSSCTSLCTSBALDH1A1

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 3 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 disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US 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 ELOVL6 2985/4885CTSS 2367/4885CTSL 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.