Sugi Predict

Sugi Predict / Compounds / Valine

Valine

Valine

SCHEMBL313517

CC(C)[C@H](N)C(=O)O.O=C(O)c1ncco1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.48
▸ CES1 P23141 5/20 0.35
▸ FAAH O00519 10/20 0.35
▸ NCEH1 Q6PIU2 1/20 0.35
▸ CHRNA4 P43681 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL287187 0.80 — —
Cysteine SCHEMBL360728 0.76 PTGS1 (0.50) CES1FAAHNCEH1CHRNA4CHRNB2
SCHEMBL16486853 0.74 ELANE (0.40) CES1FAAHNCEH1CHRNA4CHRNB2
SCHEMBL16486852 0.74 ELANE (0.40) CES1FAAHNCEH1CHRNA4CHRNB2
Glycine SCHEMBL1987508 0.74 CES1 (0.43) CES1FAAHNCEH1CHRNA4CHRNB2
SCHEMBL17337934 0.73 SLC7A5 (0.38) SLC7A5
SCHEMBL17337936 0.73 SLC7A5 (0.38) SLC7A5
Trifluoroacetic Acid SCHEMBL8358514 0.70 CES1 (0.40) CES1FAAHNCEH1CHRNA4CHRNB2
Valine SCHEMBL1389041 0.70 SLC7A5 (0.58) SLC7A5
SCHEMBL28542223 0.70 FAAH (0.50) CES1FAAHNCEH1HDAC3HDAC4

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 3554/4885CES1 4399/4885FAAH 4878/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 SLC7A5 3631/4885CES1 4446/4885FAAH 4878/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL SLC7A5 1255/4885CES1 2607/4885FAAH 4783/4885

“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.