SCHEMBL4325932

SCHEMBL4325932

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CTSK P43235 4/20 0.49
SYK P43405 1/20 0.49
CTSL P07711 4/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 2/20 0.48
ELANE P08246 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPM8 Q7Z2W7 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
SCHEMBL4328523 0.87 CTRB1 (0.50) CTRB1ATMCTSKSYKCTSL
SCHEMBL10521651 0.86 ALDH1A1 (0.51) CTRB1ATMRAB9ANPC1HSD17B10
SCHEMBL8896054 0.84 SYK (0.55) CTRB1ATMRAB9ANPC1CTSK
SCHEMBL561049 0.84 CTRB1 (0.55) CTRB1ATMRAB9ANPC1HSD17B10
SCHEMBL2949040 0.82 CTSK (0.57) CTRB1ATMRAB9ANPC1HSD17B10
SCHEMBL2949041 0.82 CTSK (0.57) CTRB1ATMRAB9ANPC1HSD17B10
SCHEMBL10518020 0.82 CTRB1 (0.54) CTRB1ATMRAB9ANPC1HSD17B10
SCHEMBL11635490 0.81 ALDH1A1 (0.54) CTRB1ATMCTSKSYKCTSL
SCHEMBL24103408 0.81 CTSK (0.62) CTSKSYKCTSLCTSSCTSB
SCHEMBL8561874 0.81 CTRB1 (0.56) CTRB1ATMRAB9ANPC1HSD17B10

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 10 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
EP-1603546-A1 GLYCINAMIDE DERIVATIVE FOR INHIBITING HIV REPLICATION Tripep AB (SE) 2005-12-14 EP 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
WO-2004073703-A1 GLYCINAMIDE DERIVATIVE FOR INHIBITING HIV REPLICATION TRIPEP AB (SE) 2004-09-02 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-20060183748-A1 alpha-hydroxyglycinamide derivatives eg alpha -hydroxy-glycinamide hydrochloride GALE, ENGASE, GLMN CTRB1 2060/4885ATM 4561/4885RAB9A 2423/4885
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus GALE, ENGASE, GLMN CTRB1 2676/4885ATM 4416/4885RAB9A 3190/4885
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 CTRB1 3205/4885ATM 4714/4885RAB9A 2593/4885
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum ENGASE, GALE, OGA CTRB1 1441/4885ATM 4023/4885RAB9A 3175/4885
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS OGA, ENGASE, GALE CTRB1 3502/4885ATM 4052/4885RAB9A 3609/4885

“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.