Valine

Valine

SCHEMBL2113294

CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Valine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BLM P54132 1/20 0.35
DPP4 P27487 3/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PRCP P42785 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 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
Valine SCHEMBL8740685 1.00 SLC7A5 (0.47) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL28486680 1.00 SLC7A5 (0.47) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL2543573 0.97 SLC7A5 (0.50) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL137917 0.97 SLC7A5 (0.50) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL2543574 0.97 SLC7A5 (0.50) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL137916 0.97 SLC7A5 (0.50) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL2256563 0.97 SLC7A5 (0.50) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL28494584 0.95 SLC7A5 (0.48) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL3048383 0.93 SLC7A5 (0.41) SLC7A5NOS2NOS3NOS1MEN1
Valine SCHEMBL4612496 0.93 SLC7A5 (0.41) SLC7A5NOS2NOS3NOS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137530-B1 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INST FUER ERNAEHRUNGSFORSCHUNG POTSDAM REHBRUECKE STIFTUNG DES OEFFENTLICHEN RECHTS (DE) 2018-07-18 EP disclosed
US-20180104303-A1 COMPOSITIONS FOR PREVENTING AND/OR TREATING PATHOLOGICAL CONDITIONS ASSOCIATED WITH ALPHA-GLUCOSIDASE UNIVERSITE CLERMONT AUVERGNE (FR) 2018-04-19 US disclosed
US-8158442-B2 Antagonists of bitter taste receptors and uses thereof Deutsches Institut Fuer Ernaehrungsforschung Potsdam-Rehbruecke-Stiftung Des Oefentlichen Rechts (DE) 2012-04-17 US disclosed
US-20100113548-A1 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FUR ERNAHRUNGSFORSCHUNG POTSDAM-REHBRUCKE (DE) 2010-05-06 US disclosed
EP-2137530-A2 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke Stiftung des Öffentlichen Rechts (DE) 2009-12-30 EP disclosed
WO-2008128730-A2 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2008-10-30 WO disclosed
EP-1983342-A1 Antogonists of bitter taste receptors and uses thereof Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke-Stiftung des öffentlichen Rechts- Vertreten durch den Stiftungsvorstand (DE) 2008-10-22 EP disclosed
EP-0873404-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS NONG SIM CO LTD (KR) 2003-04-16 EP disclosed
US-6232438-B1 TRIPEPTIDE HISTIDINE-HISTIDINE-LEUCINE; DERIVED FROM FERMENTED SOYBEAN PASTE FOR CONTROLLING HYPERTENSION; EXHIBITS SIMILAR OR HIGHER ACTIVITIES NONG SHIM CO., LTD. (KR) 2001-05-15 US disclosed
EP-0873404-A1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS Nong Shim Co., Ltd. (KR) 1998-10-28 EP disclosed
WO-1997025418-A1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS NONG SHIM CO., LTD. (KR) 1997-07-17 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 (1 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-20100113548-A1 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF TAS2R8, TAS2R30, TAS2R20 SLC7A5 908/4885NOS2 4420/4885NOS3 3693/4885

“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.