Sugi Predict

Sugi Predict / Compounds / SCHEMBL5394089

SCHEMBL5394089

SCHEMBL5394089

NC(=O)CCCC(NC(=O)[CH]CS(=O)(=O)Cc1ccccc1)C(=O)c1nnc(-c2cccnc2)o1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.47
▸ FAAH O00519 2/20 0.47
▸ CTSK P43235 6/20 0.39
▸ CTSS P25774 5/20 0.39
▸ CTSL P07711 4/20 0.39
▸ CTSB P07858 4/20 0.39
▸ POLB P06746 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL5399987 0.93 CTSK (0.43) CES1FAAHCTSKCTSSCTSL
SCHEMBL5400589 0.93 CTSK (0.43) CES1FAAHCTSKCTSSCTSL
SCHEMBL5397960 0.93 CTSK (0.43) CES1FAAHCTSKCTSSCTSL
SCHEMBL5390907 0.86 FAAH (0.37) CES1FAAHCTSKCTSSCTSL
SCHEMBL5394092 0.78 CTSK (0.46) CES1FAAHCTSKCTSSCTSL
SCHEMBL5395502 0.76 HDAC1 (0.41) CES1FAAHPOLBSMN1; SMN2ALDH1A1
SCHEMBL5393841 0.73 CTSS (0.35) CTSKCTSSCTSLCTSBPOLB
SCHEMBL5387778 0.72 ELANE (0.39) CTSKCTSSCTSLCTSBELANE
SCHEMBL14426901 0.71 CTSS (0.48) CES1FAAHCTSKCTSSCTSL
SCHEMBL6649847 0.71 CTSS (0.36) CTSKCTSSCTSLCTSBPOLB

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 5 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 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
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 — — 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 (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 CES1 173/4885FAAH 635/4885CTSK 8/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE CES1 173/4885FAAH 635/4885CTSK 8/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE CES1 104/4885FAAH 576/4885CTSK 8/4885

“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.