SCHEMBL5384543

SCHEMBL5384543

CC(C)CS(=O)(=O)C[CH]C(=O)NC(CC(N)=O)C(=O)c1nc(-c2cccs2)no1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
PKM P14618 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.38
CTSS P25774 5/20 0.37
CTSB P07858 3/20 0.37
CTSK P43235 4/20 0.36
CTSL P07711 3/20 0.36
PSMB5 P28074 1/20 0.36
CTSF Q9UBX1 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL5398704 0.87 ALDH1A1 (0.37) LMNAHTTMAPT
SCHEMBL5384549 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL5394161 0.76 TDP1 (0.36) NPC1RAB9ALMNA
SCHEMBL5385707 0.71 HDAC4 (0.32)
SCHEMBL5385731 0.71 CYP2D6 (0.33) SMN1; SMN2RAB9A
SCHEMBL14427090 0.69 CTSS (0.41) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL14427071 0.69 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL31036198 0.66 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL5393841 0.64 CTSS (0.35) SMN1; SMN2RAB9ALMNAKMT2APOLB
SCHEMBL2162193 0.64 NPC1 (0.70) SMN1; SMN2NPC1RAB9ALMNAKMT2A

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 14 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
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 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.