Valine

Valine

SCHEMBL2544663

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
SLC1A3 P43003 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37

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 SCHEMBL4045692 0.90 SLC7A5 (0.71) SLC7A5LCKPPARDZDHHC20ZDHHC2
Dodecane SCHEMBL28109673 0.88 SLC7A5 (0.68) SLC7A5LCKPPARDZDHHC20ZDHHC2
Valine SCHEMBL11005807 0.88 SLC7A5 (0.68) SLC7A5LCKPPARDZDHHC20ZDHHC2
Valine SCHEMBL28555130 0.82 SLC7A5 (0.60) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL11876966 0.81 SLC7A5 (0.79) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Tetrabuthylammonium SCHEMBL18878889 0.81 SLC7A5 (0.58) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL2383315 0.81 SLC7A5 (0.58) SLC7A5LCKPPARDZDHHC20ZDHHC2
Tetrabuthylammonium SCHEMBL18878892 0.81 SLC7A5 (0.58) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL786889 0.81 SLC7A5 (0.58) SLC7A5PPARDGPR84FFAR1MAPT
Valine SCHEMBL27206170 0.81 SLC7A5 (0.58) SLC7A5LCKPPARDZDHHC20ZDHHC2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20240124394-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2024-04-18 US disclosed
EP-4267117-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-11-01 EP disclosed
CN-116685313-A Indanyl-containing carboxylic acid compounds for the treatment of neurodegenerative diseases 细胞基因公司 2023-09-01 CN disclosed
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-4161926-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 EP disclosed
WO-2022140555-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-06-30 WO disclosed
CN-104066727-B Methyl fluoride -5,6- dihydro -4H- [1,3] oxazines class 霍夫曼-拉罗奇有限公司 2019-04-26 CN disclosed
CN-103380134-B N-[3-(5-amino-3,3A, 7,7A-tetrahydrochysene-1H-2,4-dioxa-6-azepine-indenes-7-base)-phenyl]-amide as BACE1 and/or BACE2 inhibitor 霍夫曼-拉罗奇有限公司 2016-08-24 CN disclosed
CN-104066727-A Fluoromethyl-5,6-dihydro-4H-[1,3]oxazines HOFFMANN LA ROCHE 2014-09-24 CN disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
CN-1649820-A Compounds that modulate PPAR activity and methods for preparing the same WARNER LAMBERT CO (US) 2005-08-03 CN disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO disclosed
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 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 (5 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-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB SLC7A5 2837/4885LCK 2187/4885PPARD 1531/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG SLC7A5 2814/4885LCK 2838/4885PPARD 4/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG SLC7A5 2814/4885LCK 2838/4885PPARD 4/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG SLC7A5 2814/4885LCK 2838/4885PPARD 4/4885
US-20240124394-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, S1PR2, LPAR5 SLC7A5 974/4885LCK 2281/4885PPARD 571/4885

“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.