Valine

Valine

SCHEMBL4899677

CC(C)[C@H](N)C(=O)O.Sc1ccccn1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
PTPRA P18433 1/20 0.38
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 2/20 0.35
SLC15A1 P46059 1/20 0.35

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 SCHEMBL9359776 0.82 SLC7A5 (0.50) SLC7A5PTPRALMNANAPRTP4HTM
Valine SCHEMBL3646564 0.82 NOS3 (0.53) SLC7A5PTPRALMNANAPRTP4HTM
Valine SCHEMBL20476530 0.81 SLC7A5 (0.48) SLC7A5PTPRALMNANAPRTP4HTM
Valine SCHEMBL1842424 0.81 TDP1 (0.52) SLC7A5PTPRALMNANAPRTP4HTM
Valine SCHEMBL6310603 0.79 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
2-Mercaptopyridine SCHEMBL11327454 0.79 ALDH1A1 (0.52) PTPRALMNANAPRTP4HTML3MBTL1
2-Mercaptopyridine SCHEMBL9500219 0.78 LMNA (0.52) PTPRALMNANAPRTP4HTML3MBTL1
Valine SCHEMBL9274540 0.78 PTPRA (0.50) SLC7A5PTPRAPOLBALDH1A1CYP1A2
Valine SCHEMBL1389041 0.78 SLC7A5 (0.58) SLC7A5PTPRALMNANAPRTPOLB
Quinoline SCHEMBL4747553 0.77 ALDH1A1 (0.55) SLC7A5LMNAPOLBALDH1A1KDM4E

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-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US claimed
JP-2007508323-A 2007-04-05 JP claimed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP claimed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US claimed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 WO claimed
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 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 (2 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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 SLC7A5 3583/4885PTPRA 4439/4885LMNA 2396/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 SLC7A5 3583/4885PTPRA 4439/4885LMNA 2396/4885

“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.