SCHEMBL4042162

SCHEMBL4042162

CC(C)CC(NC(=O)c1ccc(N2CCCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccoc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.63
CTSS P25774 5/20 0.47
SMYD3 Q9H7B4 1/20 0.40
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39

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
SCHEMBL4042437 0.95 CTSK (0.61) CTSKCTSSCTSVCTSL
SCHEMBL4043353 0.94 CTSK (0.64) CTSKCTSSCTSL
SCHEMBL4043134 0.94 CTSK (0.60) CTSKCTSSCTSVCTSL
SCHEMBL4038274 0.90 CTSK (0.65) CTSKCTSSCTSVCTSL
SCHEMBL4041441 0.89 CTSK (0.79) CTSKCTSSCTSVCTSL
SCHEMBL4039281 0.89 CTSK (0.79) CTSKCTSSCTSVCTSL
SCHEMBL5942356 0.89 CTSK (0.79) CTSKCTSSCTSVCTSL
SCHEMBL5942351 0.89 CTSK (0.79) CTSKCTSSCTSVCTSL
SCHEMBL4366565 0.88 CTSK (0.80) CTSKCTSSSMYD3CTSVCTSL
SCHEMBL5941951 0.88 CTSK (0.80) CTSKCTSSSMYD3CTSVCTSL

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide CADILA HEALTHCARE LIMITED (IN) 2006-08-03 US claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1603866-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2005-12-14 EP claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004058694-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2004-07-15 WO claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
WO-2012101648-A1 NOVEL PROCESS FOR THE SYNTHESIS OF ENANTIOMERICALLY PURE 2-METHOXY-5-[(2R)-2-(4-ALKYLPIPERAZIN-L-YL)PROPYL]-BENZENESULFONAMIDE HAVALDAR FREDDY H 2012-08-02 WO disclosed
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP disclosed
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1720830-A1 PROCESS FOR MANUFACTURING OPTICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2006-11-15 EP disclosed
US-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide CADILA HEALTHCARE LIMITED (IN) 2006-08-03 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1603866-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2005-12-14 EP disclosed
EP-1603866-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2005-12-14 EP disclosed
WO-2005080323-A1 PROCESS FOR MANUFACTURING OPTICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2005-09-01 WO disclosed
WO-2004058694-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2004-07-15 WO disclosed
WO-2004058694-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2004-07-15 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 (2 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-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide SRMS, SPR, SRR CTSK 2447/4885CTSS 175/4885SMYD3 1666/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885SMYD3 4011/4885

“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.