SCHEMBL3614028

SCHEMBL3614028

CCC(CC)CC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.59
CTSS P25774 4/20 0.54
CTSL P07711 3/20 0.54
CTSB P07858 2/20 0.54
CAPN1 P07384 1/20 0.53
CAPN2 P17655 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
TACR1 P25103 2/20 0.51
KYNU Q16719 1/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL3614032 1.00 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL319160 0.91 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL265512 0.91 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL2895983 0.91 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL14422996 0.89 CTSK (0.62) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7262115 0.88 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL2366985 0.86 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL1823902 0.86 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL222158 0.86 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8683808 0.84 CTSK (0.62) CTSKCTSSCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
EP-1664003-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
WO-2005028454-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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
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-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 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 (5 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSK 4/4885CTSS 3/4885CTSL 9/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK CTSK 3/4885CTSS 4/4885CTSL 11/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB CTSK 7/4885CTSS 2/4885CTSL 8/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSK 8/4885CTSS 3/4885CTSL 7/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CTSK 7/4885CTSS 2/4885CTSL 9/4885

“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.