Valine

Valine

SCHEMBL1758770

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

nearest known ligand 0.79

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Known targets — ChEMBL curated mechanism

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

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 7)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.79
LAP3 P28838 4/20 0.52
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
ANPEP P15144 1/20 0.38
GLUL P15104 1/20 0.38

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 SCHEMBL1758768 1.00 SLC7A5 (0.79) SLC7A5LAP3SLC1A3SLC1A2SLC1A1
Valine SCHEMBL29415345 1.00 SLC7A5 (0.79) SLC7A5LAP3SLC1A3SLC1A2SLC1A1
Valine SCHEMBL16010343 1.00 SLC7A5 (0.79) SLC7A5LAP3SLC1A3SLC1A2SLC1A1
Valine SCHEMBL11539550 0.90 SLC7A5 (0.71) SLC7A5LAP3SLC1A3SLC1A2SLC1A1
Valine SCHEMBL8516 0.89
Valine SCHEMBL8515 0.89
Valine SCHEMBL288203 0.89 SLC7A5 (1.00) SLC7A5LAP3SLC1A3SLC1A2SLC1A1
Valine SCHEMBL1813972 0.89 SLC7A5 (1.00) SLC7A5LAP3SLC1A3SLC1A2SLC1A1
Valine SCHEMBL41225 0.89 SLC7A5 (1.00) SLC7A5LAP3SLC1A3SLC1A2SLC1A1
Valine SCHEMBL2785563 0.89 SLC7A5 (1.00) SLC7A5LAP3SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101953848-B Medicament for treating cancer and application thereof PANZHIHUA XINGCHEN VANADIUM & TITANIUM CO LTD 2011-12-21 CN claimed
CN-101972273-A Application of medicine in preparing medicines for treating diabetes mellitus PANZHIHUA XINGCHEN VANADIUM & TITANIUM CO LTD 2011-02-16 CN claimed
CN-101953848-A Medicament for treating cancer and application thereof PANZHIHUA XINGCHEN VANADIUM & TITANIUM CO LTD 2011-01-26 CN claimed
JP-3033834-A None JP disclosed
JP-55066597-A None JP disclosed
WO-2024002353-A1 PHARMACEUTICALLY ACCEPTABLE SALT AND CRYSTAL FORM OF NITROGEN-CONTAINING BRIDGE HETEROCYCLIC DERIVATIVE, AND METHOD FOR PREPARING SAME 江苏恒瑞医药股份有限公司 2024-01-04 WO disclosed
US-11352387-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds NuCana plc (GB) 2022-06-07 US disclosed
US-20200181189-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana plc (GB) 2020-06-11 US disclosed
US-10570168-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti- cancer compounds NuCana plc (GB) 2020-02-25 US disclosed
EP-3224268-B1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana plc (GB) 2019-06-26 EP disclosed
CN-109806620-A The chromatography separating method and quantitative detecting method of progesterone intermediate II and progesterone intermediate I 湖南成大生物科技有限公司 2019-05-28 CN disclosed
WO-2005004714-A1 METHOD AND APPARATUS FOR DIAGNOSING BONE TISSUE CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-01-20 WO disclosed
US-5830871-A Inhibitors of E-, P- and L-selectin binding THE SCRIPPS RESEARCH INSTITUTE (US) 1998-11-03 US disclosed
US-5571799-A (2'-5') oligoadenylate analogues useful as inhibitors of host-v5.-graft response BASCO, LTD. (US) 1996-11-05 US disclosed
WO-1993003733-A1 SYNTHESES, PHARMACEUTICAL COMPOSITION AND METHOD OF APPLICATION OF (2'-5') OLIGOADENYLATE ANALOGUES BASCO, LTD. (US) 1993-03-04 WO disclosed
JP-H0333834-A ORGANIC NONLINEAR OPTICAL MATERIAL HOYA CORP 1991-02-14 JP disclosed
US-4874779-A Mitomycin phosphate derivatives BRISTOL-MYERS COMPANY (US) 1989-10-17 US disclosed
US-4246169-A Flammable plastics containing a flame retardant amount of polyarylphosphates and the polyarylphosphates FMC CORPORATION (US) 1981-01-20 US disclosed
JP-S5566597-A AMINOPHOSPHORIC ACID SALT DERIVED FROM CYCLIC PHOSPHORIC ACID SALT AND AMINO ACID PORIHOSU KAGAKU KENKYUSHO:KK 1980-05-20 JP disclosed
EP-0005053-A2 Flame-retardant organic phosphates, their production, and compositions containing them FMC Corporation (US) 1979-10-31 EP 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-11352387-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds MTAP, RNMT, ADA SLC7A5 600/4885LAP3 1813/4885SLC1A3 1180/4885
US-10570168-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti- cancer compounds MTAP, RNMT, ADA SLC7A5 600/4885LAP3 1813/4885SLC1A3 1180/4885
US-20200181189-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, RNMT SLC7A5 621/4885LAP3 1853/4885SLC1A3 1150/4885

“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.