SCHEMBL3195061

SCHEMBL3195061

CN1C(CNC2=CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC2)=CNc2nc(N)[nH]c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTHFD1 P11586 2/20 0.44
▸ DHFR P00374 1/20 0.43
▸ MTHFD2 P13995 2/20 0.41
▸ SOST Q9BQB4 1/20 0.40
▸ ATIC P31939 4/20 0.39
▸ GART P22102 8/20 0.39
▸ FOLR1 P15328 2/20 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
SCHEMBL8406397 0.95 FPGS (0.41) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL5064786 0.90 DHFR (0.46) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL4616964 0.84 MTHFD1 (0.47) MTHFD1DHFRMTHFD2SOSTATIC
Leucovorin SCHEMBL1259919 0.78 DHFR (0.71) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL17097094 0.78 MTHFD1 (0.63) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL2166341 0.78 MTHFD1 (0.63) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL2906514 0.77 TYMS (0.62) DHFRATICGART
SCHEMBL14843581 0.74 DHFR (0.46) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL16085830 0.71 MTHFD1 (0.55) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL26045339 0.67 TYMS (0.55) MTHFD1DHFRMTHFD2SOSTATIC

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
WO-2019000101-A1 NOVEL FORMULATIONS USEFUL IN TREATING FOLATE DEFICIENCIES MSI METHYLATION SCIENCES INC. (CA) 2019-01-03 — — WO disclosed
WO-2014143984-A1 METHODS OF PRODUCING NUTRITIONAL SUPPLEMENTS USING MUSHROOMS FROM THE SPECIES PORIA COCOS OR FLAMMULINA VELUTIPES JARROW FORMULAS, INC. (US) 2014-09-18 — — WO disclosed
US-20140271704-A1 METHODS OF PRODUCING NUTRITIONAL SUPPLEMENTS USING MUSHROOMS FROM THE SPECIES Poria cocos OR Flammulina velutipes JARROW FORMULAS, INC. (US) 2014-09-18 — — US disclosed
US-8222022-B2 Tri-functionalized cryptophane biosensors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-07-17 — — US disclosed
US-20100105099-A1 TRI-FUNCTIONALIZED CRYPTOPHANE, SYNTHESIS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-29 — — US disclosed
US-7682606-B2 Methods of producing edible fungi containing activated folates and nutritional supplements containing activated folates JARROW FORMULAS, INC. (US) 2010-03-23 — — US disclosed
US-20080292596-A1 METHODS OF PRODUCING EDIBLE FUNGI CONTAINING ACTIVATED FOLATES AND NUTRITIONAL SUPPLEMENTS CONTAINING ACTIVATED FOLATES KKR LOAN ADMINISTRATION SERVICES LLC 2008-11-27 — — US disclosed
US-7354590-B2 Methods of producing edible fungi containing activated folates and nutritional supplements containing activated folates JARROW FORMULAS, INC. (US) 2008-04-08 — — US disclosed
WO-2004092334-A3 METHODS OF PRODUCING EDIBLE FUNGI CONTAINING ACTIVATED FOLATES AND NUTRITIONAL SUPPLEMENTS CONTAINING ACTIVATED FOLATES JARROW FORMULAS INC (US) 2005-01-27 — — WO disclosed
US-20040258711-A1 Methods of producing edible fungi containing activated folates and nutritional supplements containing activated folates KKR LOAN ADMINISTRATION SERVICES LLC 2004-12-23 — — US disclosed
WO-2004092334-A2 METHODS OF PRODUCING EDIBLE FUNGI CONTAINING ACTIVATED FOLATES AND NUTRITIONAL SUPPLEMENTS CONTAINING ACTIVATED FOLATES JARROW FORMULAS, INC. (US) 2004-10-28 — — 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-20100105099-A1 TRI-FUNCTIONALIZED CRYPTOPHANE, SYNTHESIS AND USES THEREOF SPR, CACYBP, CRY2 MTHFD1 1413/4885DHFR 1874/4885MTHFD2 1084/4885

“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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