SCHEMBL1982893

SCHEMBL1982893

CC(C)(C)OC(=O)NC(Cc1nccs1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ACE P12821 1/20 0.47
CTSS P25774 5/20 0.45
CTSK P43235 4/20 0.45
PTPN1 P18031 3/20 0.43
PPARA Q07869 6/20 0.43
PPARG P37231 5/20 0.43
CTSL P07711 2/20 0.43
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
PPARD Q03181 2/20 0.41
CTSB P07858 1/20 0.41
FDPS P14324 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL1982889 1.00 ITGB3 (0.50) ITGB3ITGA2BACECTSSCTSK
SCHEMBL5924778 0.89 CTSK (0.44) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL2398131 0.89 CTSK (0.44) ITGB3ITGA2BCTSSCTSKCTSL
Naphthylamine SCHEMBL8515807 0.85 PTPN1 (0.47) ITGB3ITGA2BACECTSSCTSK
SCHEMBL8364627 0.83 PTPN1 (0.45) ITGB3ITGA2BACECTSSCTSK
SCHEMBL1980173 0.83 PPARA (0.48) ACECTSSCTSKPPARACTSL
SCHEMBL1980172 0.83 PPARA (0.48) ACECTSSCTSKPPARACTSL
SCHEMBL6253194 0.82 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL12311350 0.81 CTSK (0.48) CTSSCTSKCTSLFDPS
SCHEMBL13803517 0.81 CTSK (0.48) CTSSCTSKCTSLFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051367-A1 HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2025-02-13 US disclosed
EP-4444729-A1 HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS Pretzel Therapeutics, Inc. (US) 2024-10-16 EP disclosed
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
WO-2023107490-A1 HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
WO-2023107490-A1 HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
EP-2513054-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 US disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 US disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 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 (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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK ITGB3 2296/4885ITGA2B 1994/4885ACE 74/4885
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE ITGB3 4115/4885ITGA2B 3916/4885ACE 58/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB ITGB3 3655/4885ITGA2B 3010/4885ACE 89/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ITGB3 4727/4885ITGA2B 4585/4885ACE 1332/4885
US-20250051367-A1 HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS LONP1, PC, NLN ITGB3 4824/4885ITGA2B 4710/4885ACE 1628/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ITGB3 4177/4885ITGA2B 3748/4885ACE 100/4885

“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.