SCHEMBL4178256

SCHEMBL4178256

Cc1ccccc1S(=O)(=O)N1CCOC(CNC(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccc3n2C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.44
CTSS P25774 7/20 0.44
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.38
TACR2 P21452 1/20 0.37
CTSK P43235 9/20 0.36
CTSB P07858 2/20 0.36
CTSV O60911 1/20 0.36
PHGDH O43175 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4188253 0.93 CTSL (0.43) CTSLCTSSTACR2CTSKCTSB
SCHEMBL4187902 0.91 CTSL (0.46) CTSLCTSSTACR2CTSKCTSB
SCHEMBL4188244 0.89 CTSL (0.41) CTSLCTSSTACR2CTSKCTSB
SCHEMBL5488368 0.88 CTSL (0.43) CTSLCTSSPOLBTACR2PHGDH
SCHEMBL4186149 0.87 TRPA1 (0.46) CTSLCTSSPOLBTACR2CTSK
SCHEMBL4191695 0.82 TRPA1 (0.38) CTSLCTSSPOLBRAB9ATACR2
SCHEMBL4178313 0.82 KMT2A (0.39) CTSLCTSSPOLBTACR2PHGDH
SCHEMBL4181177 0.81 KMT2A (0.39) CTSSPOLBTACR2PHGDHMEN1
SCHEMBL4178159 0.80 MAPK1 (0.43) RAB9APHGDHMEN1KMT2A
SCHEMBL4188430 0.79 TRPA1 (0.42) CTSLCTSSPOLBRAB9APHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 CTSL 867/4885CTSS 1717/4885POLB 4819/4885

“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.