Valine

Valine

SCHEMBL313632

CC(C)[C@H](N)C(=O)O.O=C(O)c1oc(-c2ncco2)nc1-c1ncco1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CFTR P13569 1/20 0.30
FFAR2 O15552 1/20 0.30

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
Valine SCHEMBL313517 0.74 SLC7A5 (0.48) SLC7A5FFAR2
SCHEMBL17337934 0.65 SLC7A5 (0.38) SLC7A5
SCHEMBL17337936 0.65 SLC7A5 (0.38) SLC7A5
Valine SCHEMBL3165076 0.63 SLC7A5 (0.94) SLC7A5
Valine SCHEMBL4446283 0.63 SLC7A5 (0.94) SLC7A5
Valine SCHEMBL1389041 0.62 SLC7A5 (0.58) SLC7A5
Valine SCHEMBL28052598 0.61 SLC7A5 (0.88) SLC7A5
Valine SCHEMBL4582565 0.61 SLC7A5 (0.88) SLC7A5
Valine SCHEMBL1813972 0.61 SLC7A5 (1.00) SLC7A5
Valine SCHEMBL43678 0.61

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-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 US disclosed
EP-2183256-A1 THERAPEUTIC COMPOUNDS Rutgers, The State University of New Jersey (US) 2010-05-12 EP disclosed
EP-2079704-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-07-22 EP disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 US disclosed
WO-2009018549-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 WO disclosed
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 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 (3 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL SLC7A5 3554/4885ADORA2A 1139/4885ADORA1 622/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 SLC7A5 3631/4885ADORA2A 1226/4885ADORA1 758/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL SLC7A5 1255/4885ADORA2A 2961/4885ADORA1 2437/4885

“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.