SCHEMBL4316106

SCHEMBL4316106

C=CCC[C@@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.52
▸ CTSK P43235 7/20 0.50
▸ ELANE P08246 1/20 0.49
▸ CTRB1 P17538 2/20 0.49
▸ CTSS P25774 4/20 0.48
▸ CTSL P07711 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CTSB P07858 2/20 0.47

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
SCHEMBL3656916 1.00 ATM (0.52) ATMCTSKELANECTRB1CTSS
SCHEMBL3656918 1.00 ATM (0.52) ATMCTSKELANECTRB1CTSS
Methylsulfanylmethane SCHEMBL6213966 0.94 ATM (0.47) ATMCTSKELANECTRB1CTSS
SCHEMBL16473698 0.86 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL14317559 0.86 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL14247228 0.86 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL24323665 0.84 ALDH1A1 (0.58) CTSKCTSSCTSLALDH1A1ALOX15
SCHEMBL24323651 0.84 ALDH1A1 (0.58) CTSKCTSSCTSLALDH1A1ALOX15
SCHEMBL1632289 0.84 ATM (0.50) ATMCTSKELANECTRB1CTSS
SCHEMBL19548687 0.84 TGM2 (0.53) CTSKCTSLALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 — — US claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 — — EP claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 — — US claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 — — EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 — — WO claimed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 — — US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 — — US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 — — US disclosed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 — — EP disclosed
WO-2005013909-A2 NOVEL CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 — — WO disclosed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 — — US disclosed
EP-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 — — EP disclosed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 — — WO disclosed
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 — — US disclosed
WO-2003045909-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF AZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-05 — — WO disclosed
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 — — EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 — — EP disclosed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 — — EP disclosed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 — — WO disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 — — 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 (4 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-20030114437-A1 Protease inhibitors CTSS, CTSE, CTSF ATM 3119/4885CTSK 6/4885ELANE 14/4885
US-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ ATM 3624/4885CTSK 1/4885ELANE 201/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ ATM 3585/4885CTSK 1/4885ELANE 152/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF ATM 3119/4885CTSK 6/4885ELANE 14/4885

“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.

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