SCHEMBL5384549

SCHEMBL5384549

CCC(NC(=O)C(N)CS(=O)(=O)CC(C)C)C(=O)c1nc(-c2cccs2)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CTSS P25774 6/20 0.42
CTSB P07858 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.41
CTSK P43235 4/20 0.41
CTSF Q9UBX1 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
PKM P14618 2/20 0.40
CTSL P07711 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
PSMB5 P28074 1/20 0.38
MCL1 Q07820 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
SCHEMBL5398714 0.86 CTSB (0.39) CTSSCTSBCTSLMAPTPOLB
SCHEMBL14427090 0.82 CTSS (0.41) SMN1; SMN2NPC1RAB9ACTSSCTSB
SCHEMBL5385250 0.79
SCHEMBL5394349 0.78
SCHEMBL5384543 0.77 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ACTSSCTSB
SCHEMBL5394166 0.76 TDP1 (0.38) LMNAMAPTTP53POLB
SCHEMBL14427071 0.75 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL5384676 0.74 ALDH1A1 (0.39) SMN1; SMN2RAB9ACTSSPOLB
SCHEMBL5392286 0.72 CTSB (0.41) CTSSCTSBLMNA
SCHEMBL5427338 0.71 PRSS1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US claimed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US claimed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP claimed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US claimed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 WO claimed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 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 (3 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE SMN1; SMN2 2868/4885NPC1 40/4885RAB9A 494/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE SMN1; SMN2 2868/4885NPC1 40/4885RAB9A 494/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE SMN1; SMN2 2629/4885NPC1 36/4885RAB9A 500/4885

“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.