SCHEMBL4342809

SCHEMBL4342809

CC(C)OC(NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.53
ATM Q13315 1/20 0.53
CTSK P43235 5/20 0.51
ELANE P08246 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CTSS P25774 4/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.48
ECE1 P42892 1/20 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
SCHEMBL4328694 0.86 CTRB1 (0.53) CTRB1ATMCTSKELANECTSS
SCHEMBL4337923 0.86 CTRB1 (0.52) CTRB1ATMCTSKELANECA12
SCHEMBL4328523 0.83 CTRB1 (0.50) CTRB1ATMCTSKELANECA12
SCHEMBL2627373 0.82 CTSK (0.59) CTRB1ATMCTSKELANECTSS
SCHEMBL591895 0.82 CTSK (0.59) CTRB1ATMCTSKELANECTSS
SCHEMBL591894 0.82 CTSK (0.59) CTRB1ATMCTSKELANECTSS
SCHEMBL4173427 0.80 ATM (0.56) CTRB1ATMCTSKELANECA12
SCHEMBL13973861 0.80 ECE1 (0.64) ATMCTSKELANECA1CA2
SCHEMBL7305552 0.80 ECE1 (0.64) ATMCTSKELANECA1CA2
SCHEMBL7331078 0.80 ECE1 (0.64) ATMCTSKELANECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2009-07-02 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
EP-1799222-A2 COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2007-06-27 EP disclosed
US-20060188920-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum BALZARINI JAN MARIA R 2006-08-24 US disclosed
US-20060183748-A1 alpha-hydroxyglycinamide derivatives eg alpha -hydroxy-glycinamide hydrochloride BALZARINI JAN MARIA R 2006-08-17 US disclosed
WO-2006030323-A2 COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2006-03-23 WO disclosed
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus TRIPEP AB (SE) 2005-05-05 US disclosed
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum TRIPEP AB (SE) 2004-09-16 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 (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-20060183748-A1 alpha-hydroxyglycinamide derivatives eg alpha -hydroxy-glycinamide hydrochloride GALE, ENGASE, GLMN CTRB1 2060/4885ATM 4561/4885CTSK 1343/4885
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus GALE, ENGASE, GLMN CTRB1 2676/4885ATM 4416/4885CTSK 1908/4885
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 CTRB1 3205/4885ATM 4714/4885CTSK 2645/4885
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum ENGASE, GALE, OGA CTRB1 1441/4885ATM 4023/4885CTSK 1358/4885
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS OGA, ENGASE, GALE CTRB1 3502/4885ATM 4052/4885CTSK 2305/4885

“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.