SCHEMBL4126044

SCHEMBL4126044

Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CC(CO)C(=O)O)C(=O)O)cc1)CN2

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.77
▸ FPGS Q05932 2/20 0.76
▸ GART P22102 5/20 0.57
▸ DHFR P00374 1/20 0.52
▸ ATIC P31939 2/20 0.50
▸ MTHFD1 P11586 2/20 0.48
▸ NOS1 P29475 2/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MTHFD2 P13995 2/20 0.44

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
SCHEMBL4334665 0.93 SOST (0.76) SOSTFPGSGARTDHFRATIC
SCHEMBL28206357 0.90 SOST (0.79) SOSTFPGSGARTDHFRATIC
SCHEMBL50298 0.90 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL15121249 0.90 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL716106 0.90 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL3953439 0.90 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL27363888 0.90 FPGS (0.75) SOSTFPGSGARTDHFRATIC
SCHEMBL27708884 0.89 SOST (0.77) SOSTFPGSGARTDHFRATIC
SCHEMBL28469783 0.89 SOST (0.77) SOSTFPGSGARTDHFRATIC
SCHEMBL717287 0.88 SOST (0.76) SOSTFPGSGARTDHFRATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001030352-A1 HIGH DOSE FOLIC ACID FOR THE TREATMENT OF HYPERHOMOCYSTEINEMIA CARY PHARMACEUTICALS INC. (US) 2001-05-03 — — WO claimed
US-20170258861-A1 Treatment of Herpes, Pseudomonas, Staph, and Hepatitis SQUIRES MERYL J (US) 2017-09-14 — — US disclosed
US-9662360-B2 Treatment of herpes, pseudomonas, staph, and hepatitis MERITUS CORPORATION (DM) 2017-05-30 — — US disclosed
US-20160151436-A1 Treatment of Herpes, Pseudomonas, Staph, and Hepatitis MERITUS CORPORATION (DM) 2016-06-02 — — US disclosed
US-20090191288-A1 Composition to Treat Herpes, Pseudomonas, Staph, Hepatitis and Other Infectious Diseases SQUIRES MERYL J 2009-07-30 — — US disclosed
US-7071233-B2 Antimicrobial prevention and treatment of human immunedeficience virus and other infectious diseases Squires, Meryl J. (US) 2006-07-04 — — US disclosed
US-6646013-B1 Synergystic mixtures of salicin, curcumin, calcium, folic acid, vitamins D, B6 and B12, used to prevent colon and rectal cancer in humans NUTRI-LOGICS 2003-11-11 — — US disclosed
EP-1200075-A4 NUTRIENT FORMULATIONS FOR DISEASE REDUCTION, AND RELATED TREATMENT AND COMPONENT SCREENING METHODS NUTRI LOGICS INC (US) 2003-05-02 — — EP disclosed
EP-1200075-A1 NUTRIENT FORMULATIONS FOR DISEASE REDUCTION, AND RELATED TREATMENT AND COMPONENT SCREENING METHODS Nutri-Logics, Inc. (US) 2002-05-02 — — EP disclosed
US-6350784-B1 PHYTOCHEMICALS, SURFACTANT, FOLIC ACID, Squires, Meryl J. 2002-02-26 — — US disclosed
WO-2001030352-A1 HIGH DOSE FOLIC ACID FOR THE TREATMENT OF HYPERHOMOCYSTEINEMIA CARY PHARMACEUTICALS INC. (US) 2001-05-03 — — WO disclosed
WO-2000076492-A1 NUTRIENT FORMULATIONS FOR DISEASE REDUCTION, AND RELATED TREATMENT AND COMPONENT SCREENING METHODS NUTRI-LOGICS, INC. (US) 2000-12-21 — — 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 (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-20160151436-A1 Treatment of Herpes, Pseudomonas, Staph, and Hepatitis NISCH, CUTA, HRH1 SOST 3298/4885FPGS 4528/4885GART 606/4885
US-20170258861-A1 Treatment of Herpes, Pseudomonas, Staph, and Hepatitis NISCH, CUTA, HRH1 SOST 3298/4885FPGS 4528/4885GART 606/4885
US-20090191288-A1 Composition to Treat Herpes, Pseudomonas, Staph, Hepatitis and Other Infectious Diseases ASPH, KCNH3, PRPH SOST 3260/4885FPGS 4697/4885GART 900/4885

“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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