Valine

Valine

SCHEMBL4261471

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

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.83
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
TP53 P04637 1/20 0.38
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
LAP3 P28838 1/20 0.36
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34

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 SCHEMBL9399607 0.94 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL19548431 0.92 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL7704095 0.92 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL7207898 0.92 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL15602719 0.92 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL27571970 0.92 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL482773 0.92 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL41225 0.91 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL2785563 0.91 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL8516 0.91

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
CN-100400514-C 9-cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AG (DE) 2008-07-09 CN disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 WO disclosed
WO-2008035209-A2 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-27 WO disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
CN-1681792-A 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AG (DE) 2005-10-12 CN disclosed
US-5728867-A LASER RECORDING BASF AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
US-4855283-A IMMUNE SYSTEM STIMULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-08-08 US 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 (4 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 SLC7A5 3833/4885SLC1A3 4254/4885SLC1A2 4382/4885
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 SLC7A5 1050/4885SLC1A3 102/4885SLC1A2 295/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 SLC7A5 1367/4885SLC1A3 1090/4885SLC1A2 1617/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET SLC7A5 3469/4885SLC1A3 4314/4885SLC1A2 4252/4885

“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.