Sugi Predict

Sugi Predict / Compounds / SCHEMBL5397960

SCHEMBL5397960

SCHEMBL5397960

NC(=O)CCC[C@H](NC(=O)[CH]CS(=O)(=O)Cc1ccccc1)C(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.43
▸ CTSS P25774 6/20 0.43
▸ CTSL P07711 5/20 0.43
▸ CTSB P07858 5/20 0.43
▸ CES1 P23141 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FAAH O00519 3/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 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
SCHEMBL5400589 1.00 CTSK (0.43) CTSKCTSSCTSLCTSBCES1
SCHEMBL5399987 1.00 CTSK (0.43) CTSKCTSSCTSLCTSBCES1
SCHEMBL5394089 0.93 CES1 (0.47) CTSKCTSSCTSLCTSBCES1
SCHEMBL5395502 0.82 HDAC1 (0.41) CES1ALDH1A1GAASMN1; SMN2FAAH
SCHEMBL5390907 0.80 FAAH (0.37) CTSKCTSSCTSLCTSBCES1
SCHEMBL5393841 0.78 CTSS (0.35) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL5387778 0.77 ELANE (0.39) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL5400592 0.75 CTSK (0.52) CTSKCTSSCTSLCTSBCES1
SCHEMBL6649847 0.75 CTSS (0.36) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL5394161 0.75 TDP1 (0.36) ALDH1A1

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 CTSK 8/4885CTSS 1/4885CTSL 10/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSS 1/4885CTSL 10/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSS 1/4885CTSL 10/4885

“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.