SCHEMBL4075170

SCHEMBL4075170

N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](NC(=O)[C@H](CC2CCCC2)NC(=O)c2cc3ccccc3s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.44
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
TACR2 P21452 1/20 0.41
CTSK P43235 6/20 0.40
ATM Q13315 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
REN P00797 1/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 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
SCHEMBL14342662 1.00 UTS2R (0.44) UTS2RCTSBCTSSTACR2CTSK
SCHEMBL5518167 1.00 UTS2R (0.44) UTS2RCTSBCTSSTACR2CTSK
SCHEMBL14342666 0.99 UTS2R (0.43) UTS2RCTSBCTSSTACR2CTSK
SCHEMBL4074839 0.99 UTS2R (0.43) UTS2RCTSBCTSSTACR2CTSK
SCHEMBL4252396 0.90 UTS2R (0.45) UTS2RCTSBCTSSTACR2CTSK
SCHEMBL14342616 0.90 UTS2R (0.54) UTS2RCTSBCTSSCTSK
SCHEMBL5523428 0.90 UTS2R (0.54) UTS2RCTSBCTSSCTSK
SCHEMBL4253479 0.90 UTS2R (0.54) UTS2RCTSBCTSSCTSK
SCHEMBL4191791 0.81 CTSB (0.42) UTS2RCTSBCTSSTACR2CTSK
SCHEMBL4076026 0.80 UTS2R (0.53) UTS2RCTSBCTSSTACR2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP claimed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US claimed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP claimed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO claimed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 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-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 UTS2R 315/4885CTSB 2883/4885CTSS 1770/4885

“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.