SCHEMBL6578032

SCHEMBL6578032

CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.60
CTSB P07858 5/20 0.60
CTSK P43235 10/20 0.58
CYP3A4 P08684 1/20 0.55
CTSS P25774 3/20 0.55
CAPN1 P07384 2/20 0.51
CAPN2 P17655 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
SCHEMBL27497095 1.00 CTSL (0.60) CTSLCTSBCTSKCYP3A4CTSS
SCHEMBL7162081 0.99 CTSL (0.59) CTSLCTSBCTSKCYP3A4CTSS
Lithium SCHEMBL7162098 0.99 CTSL (0.59) CTSLCTSBCTSKCYP3A4CTSS
SCHEMBL27557439 0.91 CTSL (0.55) CTSLCTSBCTSKCYP3A4CTSS
SCHEMBL7375883 0.90 CTSL (0.58) CTSLCTSBCTSKCYP3A4CTSS
Lithium Ion SCHEMBL7162088 0.88 CTSL (0.56) CTSLCTSBCTSKCYP3A4CTSS
SCHEMBL222158 0.86 CTSK (0.76) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL1823902 0.86 CTSK (0.76) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL2366985 0.86 CTSK (0.76) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL6183168 0.86 CTSL (0.78) CTSLCTSBCTSKCTSS

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
CN-1171870-C Cysteine protease inhibitors ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-20 CN disclosed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-6586466-B2 Enzyme inhibitor for use in the treatment of bone, oral, arthritic, paget's and hypercalcemic diseases SMITHKLINE BEECHAM CORPORATION 2003-07-01 US disclosed
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 US disclosed
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 US disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 US disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 US disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO disclosed
CN-1232399-A Cysteine protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-10-20 CN disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS CTSL 7/4885CTSB 5/4885CTSK 1/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSL 8/4885CTSB 60/4885CTSK 100/4885
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 CTSL 22/4885CTSB 35/4885CTSK 64/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSL 14/4885CTSB 4/4885CTSK 1/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSL 14/4885CTSB 4/4885CTSK 1/4885

“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.