SCHEMBL3029758

SCHEMBL3029758

CC(C)CNC[C@@H](O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.55
CTSS P25774 3/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 2/20 0.52
REN P00797 1/20 0.52
PSMB1 P20618 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
ATM Q13315 1/20 0.48
CTRB1 P17538 2/20 0.48

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
SCHEMBL10570700 0.92 CTSK (0.54) CTSKCTSSCTSLCTSBREN
SCHEMBL5413813 0.90 TRPM8 (0.56) CTSKCTSSCTSLCTSBACE2
SCHEMBL4910315 0.90 TRPM8 (0.56) CTSKCTSSCTSLCTSBACE2
SCHEMBL24324236 0.90 TRPM8 (0.56) CTSKCTSSCTSLCTSBACE2
SCHEMBL7698179 0.90 TRPM8 (0.56) CTSKCTSSCTSLCTSBACE2
SCHEMBL8478010 0.85 CTRB1 (0.54) CTSKCTSSCTSLCTSBREN
SCHEMBL10559587 0.85 CTSK (0.55) CTSKCTSSCTSLCTSBREN
SCHEMBL3042938 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL29865843 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL3042936 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBREN

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE TUNG ROGER D 2010-08-19 US disclosed
US-7608632-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-27 US disclosed
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease TUNG ROGER D 2008-11-27 US disclosed
US-7321063-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-22 US disclosed
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-24 US disclosed
US-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
US-6720335-B2 VIRICIDES VERTEX PHARMACEUTICALS INCORPORATED 2004-04-13 US disclosed
EP-0885887-B1 Sulfonamide inhibitors of HIV-Aspartyl protease VERTEX PHARMA (US) 2003-05-28 EP disclosed
US-20030069222-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. 2003-04-10 US disclosed
US-20030064977-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. 2003-04-03 US disclosed
EP-0846110-B1 THF-CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2002-08-28 EP disclosed
US-6392046-B1 AIDS THERAPY VERTEX PHARMACEUTICALS, INC. 2002-05-21 US disclosed
US-6372778-B1 AMINE HYDROXYALKYL SULFONAMIDE AS ENZYME INHIBITORS VERTEX PHARMACEUTICALS, INCORPORATED 2002-04-16 US disclosed
EP-0885887-A2 Sulfonamide inhibitors of HIV-Aspartyl protease Vertex Pharmaceuticals Incorporated (US) 1998-12-23 EP disclosed
EP-0846110-A1 THF-CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 1998-06-10 EP disclosed
WO-1996033184-A1 THF-CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1996-10-24 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 (6 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-20030069222-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CTSK 231/4885CTSS 47/4885CTSL 68/4885
US-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CTSK 231/4885CTSS 47/4885CTSL 68/4885
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE SPINT2, PRSS1, DNPEP CTSK 231/4885CTSS 47/4885CTSL 68/4885
US-20030064977-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CTSK 231/4885CTSS 47/4885CTSL 68/4885
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CTSK 231/4885CTSS 47/4885CTSL 68/4885
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CTSK 231/4885CTSS 47/4885CTSL 68/4885

“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.