Isoleucine

Isoleucine

SCHEMBL4468657

C1CCNC1.CC[C@H](C)[C@H](N)C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.42
DPP8 Q6V1X1 10/20 0.42
DPP9 Q86TI2 9/20 0.42
SLC7A5 Q01650 1/20 0.40
DPP7 Q9UHL4 9/20 0.38
FAP Q12884 2/20 0.38

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
Isoleucine SCHEMBL4468654 1.00 DPP4 (0.42) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL6428278 1.00 DPP4 (0.42) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL1255583 0.84 SLC7A5 (0.55) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL8043620 0.84 SLC7A5 (0.55) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL5973421 0.84 SLC7A5 (0.55) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL8868 0.84
Isoleucine SCHEMBL8045737 0.84 SLC7A5 (0.55) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL8186739 0.84 SLC7A5 (0.55) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL1255582 0.84 SLC7A5 (0.55) DPP4DPP8DPP9SLC7A5DPP7
Isoleucine SCHEMBL20340795 0.84

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 13 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
CN-100382795-C Glycinamide derivative for inhibiting HIV replication TRIPEP AB (SE) 2008-04-23 CN 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
CN-1777414-A Glycinamide derivative for inhibiting HIV replication TRIPEP AB (SE) 2006-05-24 CN 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
CN-1700911-A Combination drug EISAI CO LTD (JP) 2005-11-23 CN 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 DPP4 625/4885DPP8 403/4885DPP9 664/4885
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus GALE, ENGASE, GLMN DPP4 449/4885DPP8 202/4885DPP9 679/4885
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 DPP4 725/4885DPP8 533/4885DPP9 819/4885
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum ENGASE, GALE, OGA DPP4 380/4885DPP8 213/4885DPP9 401/4885
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS OGA, ENGASE, GALE DPP4 320/4885DPP8 275/4885DPP9 563/4885

“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.