Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL4612019

COC(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)OC.O=S(=O)(O)Cc1ccccc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.66
▸ FPGS Q05932 2/20 0.65
▸ GART P22102 5/20 0.52
▸ DHFR P00374 1/20 0.46
▸ MTHFD1 P11586 1/20 0.44
▸ ATIC P31939 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40

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
SCHEMBL4613239 0.92 SOST (0.67) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL3446205 0.91 SOST (0.75) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL4633178 0.90 SOST (0.62) SOSTFPGSGARTDHFRMTHFD1
Tetrahydrofolate SCHEMBL9170627 0.89 SOST (0.84) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL27903149 0.87 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL10464162 0.87 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL7077904 0.87 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL20509041 0.87 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL7076983 0.87 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL133543 0.87 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200436-B1 METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID SALTS MERCK EPROVA AG (CH) 2008-10-29 — — EP disclosed
EP-1200436-A1 METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID SALTS EPROVA AG Forschungsinstitut (CH) 2002-05-02 — — EP disclosed
WO-2001004121-A1 METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID ESTER SALTS EPROVA AG (CH) 2001-01-18 — — WO disclosed
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