SCHEMBL4337923

SCHEMBL4337923

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
ATM Q13315 2/20 0.52
ALDH1A1 P00352 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
ALOX15 P16050 1/20 0.51
CTSK P43235 3/20 0.50
KYNU Q16719 1/20 0.50
CTSL P07711 4/20 0.49
CTSS P25774 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
ELANE P08246 1/20 0.49
CTSB P07858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL1896763 0.88 ALDH1A1 (0.56) CTRB1ATMALDH1A1TRPM8ALOX15
SCHEMBL5226466 0.88 ATM (0.56) CTRB1ATMALDH1A1TRPM8ALOX15
SCHEMBL4328523 0.86 CTRB1 (0.50) CTRB1ATMTRPM8CTSKCTSL
SCHEMBL4342809 0.86 CTRB1 (0.53) CTRB1ATMCTSKCTSLCTSS
SCHEMBL591894 0.82 CTSK (0.59) CTRB1ATMCTSKCTSLCTSS
SCHEMBL2627373 0.82 CTSK (0.59) CTRB1ATMCTSKCTSLCTSS
SCHEMBL591895 0.82 CTSK (0.59) CTRB1ATMCTSKCTSLCTSS
SCHEMBL11548100 0.81 CTRB1 (0.57) CTRB1ATMALDH1A1CTSKCTSL
SCHEMBL5412160 0.80 MAPT (0.61) CTRB1ATMALDH1A1TRPM8ALOX15
SCHEMBL939737 0.80 MAPT (0.61) CTRB1ATMALDH1A1TRPM8ALOX15

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 4561/4885ALDH1A1 1072/4885
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus GALE, ENGASE, GLMN CTRB1 2676/4885ATM 4416/4885ALDH1A1 1375/4885
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 CTRB1 3205/4885ATM 4714/4885ALDH1A1 1380/4885
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum ENGASE, GALE, OGA CTRB1 1441/4885ATM 4023/4885ALDH1A1 1359/4885
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS OGA, ENGASE, GALE CTRB1 3502/4885ATM 4052/4885ALDH1A1 727/4885

“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.