SCHEMBL2105211

SCHEMBL2105211

COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1c1cc(C)nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 5/20 0.41
CTSS P25774 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.37
EPHX2 P34913 3/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSK P43235 2/20 0.36
GAA P10253 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
SCHEMBL694697 1.00 ELOVL6 (0.41) ELOVL6CTSSSMN1; SMN2TRPA1EPHX2
SCHEMBL695506 0.91 ELOVL6 (0.43) ELOVL6CTSSEPHX2PTGS2PTGS1
SCHEMBL695189 0.90 CTSS (0.49) ELOVL6CTSSSMN1; SMN2CTSLCTSB
SCHEMBL2104910 0.90 CTSS (0.49) ELOVL6CTSSSMN1; SMN2CTSLCTSB
SCHEMBL696422 0.89 SMN1; SMN2 (0.41) CTSSSMN1; SMN2TRPA1EPHX2PTGS2
SCHEMBL2105284 0.89 SMN1; SMN2 (0.41) CTSSSMN1; SMN2TRPA1EPHX2PTGS2
SCHEMBL696229 0.85 CTSS (0.55) CTSSCTSLCTSB
SCHEMBL2105017 0.85 CTSS (0.52) CTSSSMN1; SMN2TRPA1CTSLCTSB
SCHEMBL697407 0.85 CTSS (0.52) CTSSSMN1; SMN2TRPA1CTSLCTSB
SCHEMBL2105671 0.84 CRHR1 (0.39) CTSSSMN1; SMN2TRPA1CTSLCTSB

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-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 ELOVL6 2446/4885CTSS 1542/4885SMN1; SMN2 3026/4885

“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.