SCHEMBL5394166

SCHEMBL5394166

CCC(NC(=O)C(N)CS(=O)(=O)Cc1ccccc1)C(=O)c1nc(-c2ccccc2)no1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
TPH1 P17752 2/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.36
SMPD1 P17405 1/20 0.36
CARM1 Q86X55 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
SCHEMBL5398714 0.90 CTSB (0.39) TDP1TSHRMAPTBCHEACHE
SCHEMBL5385740 0.89 CYP2D6 (0.36)
SCHEMBL5384676 0.86 ALDH1A1 (0.39) BCHEACHEPOLB
SCHEMBL6619568 0.84 TDP1 (0.39) TDP1TSHRPPARDPPARALMNA
SCHEMBL6062807 0.82 CTSS (0.37) TDP1TSHRLMNATP53MAPT
SCHEMBL6062810 0.82 CTSS (0.37) TDP1TSHRLMNATP53MAPT
SCHEMBL5393849 0.82 CTSK (0.36) LMNATP53MAPT
SCHEMBL6650669 0.81 TDP1 (0.43) TDP1TSHRPPARDPPARALMNA
SCHEMBL6650666 0.81 TDP1 (0.43) TDP1TSHRPPARDPPARALMNA
SCHEMBL6650677 0.81 TDP1 (0.43) TDP1TSHRPPARDPPARALMNA

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 12 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
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US 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 TDP1 2886/4885TSHR 4383/4885TPH1 4550/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE TDP1 2886/4885TSHR 4383/4885TPH1 4550/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE TDP1 2180/4885TSHR 4422/4885TPH1 4261/4885

“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.