SCHEMBL2905540

SCHEMBL2905540

CN(C(=O)C1CC=C(NCc2cnc3nc(N)[nH]c(=O)c3n2)CC1)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.50
▸ TYMS P04818 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.42
▸ NOS1 P29475 4/20 0.37
▸ DHFR P00374 6/20 0.35
▸ SLC19A1 P41440 2/20 0.35
▸ GART P22102 2/20 0.35
▸ ATIC P31939 1/20 0.35

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
SCHEMBL15263068 0.90 AKR1B1 (0.49) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL2906514 0.84 TYMS (0.62) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL3980437 0.82 AKR1B1 (0.47) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL27983477 0.79 AKR1B1 (0.49) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL440460 0.78 TYMS (0.70) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL2577686 0.78 TYMS (0.70) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15531651 0.77 AKR1B1 (0.48) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL2509297 0.75 NOS1 (0.46) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL9853745 0.72 TYMS (0.71) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL10891557 0.72 AKR1B1 (0.43) AKR1B1TYMSKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804609-B1 TETRAHYDROFOLATES IN COMBINATION WITH EGFR-INHIBITORS ISOFOL MEDICAL AB (SE) 2018-06-13 — — EP disclosed
US-9675617-B2 Tetrahydrofolates in combination with EGFR-inhibitors ISOFOL MEDICAL AB (SE) 2017-06-13 — — US disclosed
US-9585888-B2 Reduction of toxicity of multi-targeting antifolates ISOFOL MEDICAL AB (SE) 2017-03-07 — — US disclosed
US-20150328218-A1 Reduction Of Toxicity Of Multi-Targeting Antifolates ISOFOL MEDICAL AB (SE) 2015-11-19 — — US disclosed
US-9138435-B2 Reduction of toxicity of multi-targeting antifolates ISOFOL MEDICAL AB (SE) 2015-09-22 — — US disclosed
EP-2804609-A1 TETRAHYDROFOLATES IN COMBINATION WITH EGFR-INHIBITORS Isofol Medical AB (SE) 2014-11-26 — — EP disclosed
EP-2804608-A1 ANTI-TUMOR ACTIVITY OF REDUCED FOLATES LIKE METHYLENE-TETRAHYDROFOLATE Isofol Medical AB (SE) 2014-11-26 — — EP 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
WO-2013107882-A1 ANTI-TUMOR ACTIVITY OF REDUCED FOLATES LIKE METHYLENE-TETRAHYDROFOLATE ISOFOL MEDICAL AB (SE) 2013-07-25 — — WO disclosed
US-20100311762-A1 Reduction of toxicity of multi-targeting antifolates ISOFOL MEDICAL AB (SE) 2010-12-09 — — US disclosed
EP-1699462-B1 Combination of [6R]-methylenetetrahydrofolate with multi-targeting antifolates to reduce their toxicity while treating cancer ISOFOL MEDICAL AB (SE) 2010-08-11 — — EP 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
US-20070249613-A1 Reduction of Toxicity of Multi-Targeting Antifolates BIOFOL AB (SE) 2007-10-25 — — US disclosed
EP-1699462-A1 REDUCTION OF TOXICITY OF MULTI-TARGETING ANTIFOLATES Biofol AB (SE) 2006-09-13 — — EP disclosed
WO-2005060973-A1 REDUCTION OF TOXICITY OF MULTI-TARGETING ANTIFOLATES BIOFOL AB (SE) 2005-07-07 — — 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
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