Sugi Predict

Sugi Predict / Compounds / SCHEMBL2396482

SCHEMBL2396482

SCHEMBL2396482

CC(CC(NC(=O)OCc1ccccc1)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.58
▸ CTSK P43235 10/20 0.57
▸ TP53 P04637 1/20 0.55
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CTSS P25774 3/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ CCR1 P32246 1/20 0.49

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
SCHEMBL2401051 0.88 CTSK (0.54) CTSKMEN1LMNAKMT2ACTSS
SCHEMBL2399634 0.87 ATM (0.62) CTSKTP53CTSSCTSLCTSB
SCHEMBL2401002 0.84 PPARA (0.52) PPARACTSKMEN1LMNAKMT2A
SCHEMBL222158 0.82 CTSK (0.76) CTSKCTSSCTSLCTSB
SCHEMBL1823902 0.82 CTSK (0.76) CTSKCTSSCTSLCTSB
SCHEMBL2366985 0.82 CTSK (0.76) CTSKCTSSCTSLCTSB
SCHEMBL2969722 0.81 PPARA (0.67) PPARACTSKCTSSCTSLCTSB
SCHEMBL7307413 0.81 PPARA (0.67) PPARACTSKCTSSCTSLCTSB
SCHEMBL9825847 0.81 PPARA (0.67) PPARACTSKCTSSCTSLCTSB
SCHEMBL7580108 0.81 CTSK (0.62) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 — — EP disclosed
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 — — US disclosed
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 — — US disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 — — US disclosed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 — — US disclosed
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 — — US disclosed
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-05-15 — — US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 — — US disclosed
CN-101068783-A Processes and intermediates for preparing cysteine protease inhibitors BAYER SCHERING PHARMA AG (DE) 2007-11-07 — — CN disclosed
EP-1817275-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2007-08-15 — — EP disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 — — US disclosed
WO-2006060494-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 — — WO disclosed
EP-1664003-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 — — EP disclosed
WO-2006034004-A2 PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 — — WO 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-2005028454-A1 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
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 — — US disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 — — 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 (7 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-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE PPARA 2614/4885CTSK 7/4885TP53 1382/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK PPARA 4535/4885CTSK 3/4885TP53 984/4885
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE PPARA 2614/4885CTSK 7/4885TP53 1382/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB PPARA 3674/4885CTSK 7/4885TP53 807/4885
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors SPINT2, PREP, CPN1 PPARA 4708/4885CTSK 91/4885TP53 655/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS PPARA 3070/4885CTSK 8/4885TP53 657/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE PPARA 2614/4885CTSK 7/4885TP53 1382/4885

“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.