SCHEMBL4185689

SCHEMBL4185689

N#Cc1ccccc1S(=O)(=O)N1CCOC(CNC(=O)[C@H](CC2CCCCC2)NC(=O)CCC2CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CTSS P25774 4/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
REN P00797 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MMP2 P08253 5/20 0.37
MMP1 P03956 4/20 0.37
MMP3 P08254 4/20 0.37
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL4171001 0.93 ATM (0.41) ATMHTR2AHTR2CRENALDH1A1
SCHEMBL4191772 0.92 ATM (0.40) ATMHTR2AHTR2CRENALDH1A1
SCHEMBL4190119 0.92 ATM (0.40) ATMHTR2AHTR2CRENALDH1A1
SCHEMBL4183317 0.91 ATM (0.40) ATMHTR2AHTR2CRENALDH1A1
SCHEMBL4188236 0.91 CTSS (0.40) ATMCTSSCTSLCTSBCTSK
SCHEMBL4183323 0.89 TSHR (0.44) ATMHTR2AHTR2CALDH1A1KMT2A
SCHEMBL4185277 0.89 ATM (0.41) ATMCTSSHTR2AHTR2CALDH1A1
SCHEMBL4188282 0.89 CTSS (0.54) ATMCTSSCTSLCTSBCTSK
SCHEMBL4179151 0.87 ALDH1A1 (0.41) ATMHTR2AHTR2CALDH1A1RAB9A
SCHEMBL4179150 0.87 ALDH1A1 (0.41) ATMHTR2AHTR2CALDH1A1RAB9A

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 ATM 4685/4885CTSS 1717/4885CTSL 867/4885

“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.