SCHEMBL4328523

SCHEMBL4328523

CCOC(NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.50
ATM Q13315 1/20 0.50
SYK P43405 1/20 0.48
CTSK P43235 4/20 0.48
CTSL P07711 6/20 0.47
CTSS P25774 5/20 0.47
CTSB P07858 2/20 0.47
ELANE P08246 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL4325932 0.87 CTRB1 (0.51) CTRB1ATMSYKCTSKCTSL
SCHEMBL4337923 0.86 CTRB1 (0.52) CTRB1ATMCTSKCTSLCTSS
SCHEMBL4342809 0.83 CTRB1 (0.53) CTRB1ATMCTSKCTSLCTSS
SCHEMBL2627396 0.80 CTSK (0.62) SYKCTSKCTSLCTSSCTSB
SCHEMBL29941638 0.80 CTSK (0.62) SYKCTSKCTSLCTSSCTSB
SCHEMBL10254381 0.80 CTSK (0.62) SYKCTSKCTSLCTSSCTSB
SCHEMBL591895 0.80 CTSK (0.59) CTRB1ATMCTSKCTSLCTSS
SCHEMBL2627373 0.80 CTSK (0.59) CTRB1ATMCTSKCTSLCTSS
SCHEMBL8896054 0.80 SYK (0.55) CTRB1ATMSYKCTSKCTSL
SCHEMBL591894 0.80 CTSK (0.59) CTRB1ATMCTSKCTSLCTSS

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 4561/4885SYK 3492/4885
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus GALE, ENGASE, GLMN CTRB1 2676/4885ATM 4416/4885SYK 3583/4885
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 CTRB1 3205/4885ATM 4714/4885SYK 3178/4885
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum ENGASE, GALE, OGA CTRB1 1441/4885ATM 4023/4885SYK 3673/4885
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS OGA, ENGASE, GALE CTRB1 3502/4885ATM 4052/4885SYK 3071/4885

“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.