Thiocitrulline

Thiocitrulline

SCHEMBL940520

CSC(N)=NCCC[C@H](N)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 10/20 1.00
▸ NOS2 P35228 9/20 1.00
▸ NOS3 P29474 6/20 1.00
▸ CYP2C19 P33261 3/20 1.00
▸ THPO P40225 1/20 1.00
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ CYP1A2 P05177 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ GLA P06280 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ APEX1 P27695 1/20 0.66
▸ DDAH1 O94760 5/20 0.63
▸ CYP3A4 P08684 1/20 0.60
▸ BLM P54132 1/20 0.58

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
S-Methyl-D-Thiocitrulline SCHEMBL9114394 1.00 NOS1 (1.00) NOS1NOS2NOS3CYP2C19THPO
Thiocitrulline SCHEMBL4406617 0.98 NOS1 (0.97) NOS1NOS2NOS3CYP2C19THPO
Thiocitrulline SCHEMBL1320099 0.97 NOS2 (0.94) NOS1NOS2NOS3CYP2C19THPO
SCHEMBL14486327 0.88 NOS1 (0.78) NOS1NOS2NOS3CYP2C19THPO
SCHEMBL232480 0.83 NOS1 (1.00) NOS1NOS2NOS3CYP2C19THPO
SCHEMBL9115404 0.83 NOS1 (0.71) NOS1NOS2NOS3CYP2C19THPO
SCHEMBL9115420 0.82 NOS1 (0.69) NOS1NOS2NOS3CYP2C19THPO
SCHEMBL29941582 0.81 NOS1 (0.74) NOS1NOS2NOS3CYP2C19THPO
SCHEMBL9115754 0.81 NOS1 (0.78) NOS1NOS2NOS3CYP2C19THPO
SCHEMBL9114350 0.81 NOS1 (0.73) NOS1NOS2NOS3CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250255850-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2025-08-14 — — US claimed
WO-2024224296-A2 TARGETED PHARMACEUTICAL COMPOSITIONS TO TREAT NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-10-31 — — WO claimed
US-20240316006-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-09-26 — — US claimed
CN-116685302-A Topical compositions 利勒格有限公司 2023-09-01 — — CN claimed
US-20230083417-A1 THERAPEUTIC COMBINATION FOR THE TREATMENT OF BRAIN ISCHEMIA AND SAID THERAPEUTIC COMBINATION FOR USE IN THE TREATMENT OF BRAIN ISCHEMIA UNIVERSITEIT MAASTRICHT (NL) 2023-03-16 — — US claimed
EP-4110396-A1 THERAPEUTIC COMBINATION FOR THE TREATMENT OF BRAIN ISCHEMIA AND SAID THERAPEUTIC COMBINATION FOR USE IN THE TREATMENT OF BRAIN ISCHEMIA Universiteit Maastricht (NL) 2023-01-04 — — EP claimed
CN-115192564-A Phenylalanine derivative, pharmaceutical composition and application of phenylalanine derivative and pharmaceutical composition in tumor treatment 四川大学华西医院 2022-10-18 — — CN claimed
US-20180161376-A1 COMPOSITIONS AND METHODS FOR NEURONAL DIFFERENTIATION OF CELLS NORTHERN SYDNEY LOCAL HEALTH DISTRICT (AU) 2018-06-14 — — US claimed
US-20180052161-A1 BIOMARKERS FOR MALARIA DIAGNOSIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2018-02-22 — — US claimed
EP-3230440-A1 COMPOSITIONS AND METHODS FOR NEURONAL DIFFERENTIATION OF CELLS Northern Sydney Local Health District (AU) 2017-10-18 — — EP claimed
EP-1161235-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING ANGIOGENESIS Angiogene Pharmaceuticals Ltd (GB) 2001-12-12 — — EP claimed
WO-2001032216-A2 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 — — WO claimed
WO-2000059448-A2 ASSOCIATION OF NO-SYNTHASE INHIBITOR(S) AND METABOLIC ANTIOXIDANT(S) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 — — WO claimed
WO-2000048591-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING ANGIOGENESIS ANGIOGENE PHARMACEUTICALS LTD. (GB) 2000-08-24 — — WO claimed
US-6043268-A Agent for treatment of viral infections Maeda, Hiroshi (JP) 2000-03-28 — — US claimed
EP-0939654-A1 ASSOCIATION OF NO SYNTASE INHIBITORS WITH TRAPPERS OF OXYGEN REACTIVE FORMS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-09-08 — — EP claimed
WO-1998009653-A1 ASSOCIATION OF NO SYNTASE INHIBITORS WITH TRAPPERS OF OXYGEN REACTIVE FORMS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-03-12 — — WO claimed
US-5476871-A Method for the treatment of hypotension induced by a cytokine or bacterial endotoxin using s-alkyl- isothioureido-amino acids THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-12-19 — — US claimed
WO-1995013804-A1 S-ALKYL-ISOTHIOUREIDO-AMINO ACIDS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-05-26 — — WO claimed
US-5364881-A S-alkyl-isothioureido-amino acids and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1994-11-15 — — US claimed

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-20240316006-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS NLN, ACHE, SMN1; SMN2 NOS1 28/4885NOS2 17/4885NOS3 19/4885
US-20250255850-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS NLN, ACHE, PYGB NOS1 18/4885NOS2 13/4885NOS3 14/4885

“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.

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