SCHEMBL5484032

SCHEMBL5484032

N#Cc1ccccc1S(=O)(=O)N1CCOC(CNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc3ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
CTSS P25774 4/20 0.41
CTSL P07711 4/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP30 Q70CQ3 1/20 0.37
BCHE P06276 1/20 0.37
F2RL1 P55085 1/20 0.37
REN P00797 1/20 0.36
LMNA P02545 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
SCHEMBL4185692 0.93 CTSL (0.45) RAB9ACTSSCTSLCTSKCTSB
SCHEMBL4188282 0.89 CTSS (0.54) CTSSCTSLCTSKCTSBATM
SCHEMBL4178441 0.88 CTSL (0.47) RAB9ACTSSCTSLCTSKCTSB
SCHEMBL4181130 0.86 CTSS (0.48) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL4191791 0.86 CTSB (0.42) CTSSCTSLCTSKCTSBATM
SCHEMBL4185689 0.85 ATM (0.42) RAB9ACTSSCTSLCTSKCTSB
SCHEMBL5485436 0.81 ATM (0.38) RAB9AALDH1A1ATMRENCNR1
SCHEMBL5484026 0.80 MAPK1 (0.47) RAB9AALDH1A1ATMLMNASMN1; SMN2
SCHEMBL4171001 0.78 ATM (0.41) RAB9AALDH1A1ATMKDM4EBCHE
SCHEMBL4190119 0.78 ATM (0.40) RAB9AALDH1A1ATMRENLMNA

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-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-20070135307-A1 Inhibition of tuber sprouting ACETO AGRICULTURAL CHEMICALS CORP. (US) 2007-06-14 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-20070135307-A1 Inhibition of tuber sprouting PF4, PDGFA, PDGFRB RAB9A 3239/4885CTSS 3397/4885CTSL 1259/4885

“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.