SCHEMBL5929596

SCHEMBL5929596

COC(=O)C[C@H](O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.49
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 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
SCHEMBL5160546 1.00 KCNA5 (0.49) KCNA5MAPTRAB9ACYP3A4CYP2C19
SCHEMBL5929625 0.83 NAMPT (0.42) MAPTCYP19A1ALDH1A1HTT
SCHEMBL3216363 0.83 NAMPT (0.42) MAPTCYP19A1ALDH1A1HTT
SCHEMBL3978916 0.81 KCNA5 (0.51) KCNA5RAB9AALDH1A1
SCHEMBL6910158 0.81 KCNA5 (0.51) KCNA5RAB9AALDH1A1
SCHEMBL6862384 0.81 KCNA5 (0.51) KCNA5RAB9AALDH1A1
SCHEMBL4378968 0.81 KCNA5 (0.48) KCNA5MAPTRAB9ACYP3A4CYP2C19
SCHEMBL5929610 0.80 KCNA5 (0.57) KCNA5ALDH1A1
SCHEMBL5929602 0.80 KCNA5 (0.57) KCNA5ALDH1A1
SCHEMBL4484678 0.80 TAAR1 (0.52) MAPTRAB9AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP disclosed
US-7666855-B2 2′-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
US-7666855-B2 2′-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
US-7553826-B2 Cytarabine monophosphate prodrugs METABASIS THERAPEUTICS, INC. (US) 2009-06-30 US disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-7498320-B2 Cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs METABASIS THERAPEUTICS, INC. (US) 2009-03-03 US disclosed
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-02-22 US disclosed
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-02-22 US disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed
US-20070037774-A1 Cytarabine monophosphate (araCMP) cyclic diesters of 1,3 propane-1-(4-pyridyl) diols that (5'-O-cis-[4-(4-pyridyl)-1,3,2-dioxaphosphorin-2-oxo-2-yl]-cytosine-beta -D-arabinofuranoside); liver cancer; liver disorders; liver viral infections; activates cytochrome P450; side effect reduction; half-life CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-02-15 US disclosed
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-01-25 US disclosed
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-01-25 US disclosed
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 US disclosed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP 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 (7 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP KCNA5 3343/4885MAPT 3867/4885RAB9A 1176/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP KCNA5 4095/4885MAPT 4117/4885RAB9A 1550/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 KCNA5 3412/4885MAPT 4160/4885RAB9A 2446/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR KCNA5 3835/4885MAPT 3642/4885RAB9A 3383/4885
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, TYMP KCNA5 2927/4885MAPT 4792/4885RAB9A 3013/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP KCNA5 3851/4885MAPT 4268/4885RAB9A 1601/4885
US-20070037774-A1 Cytarabine monophosphate (araCMP) cyclic diesters of 1,3 propane-1-(4-pyridyl) diols that (5'-O-cis-[4-(4-pyridyl)-1,3,2-dioxaphosphorin-2-oxo-2-yl]-cytosine-beta -D-arabinofuranoside); liver cancer; liver disorders; liver viral infections; activates cytochrome P450; side effect reduction; half-life TYMP, CDA, PNP KCNA5 3179/4885MAPT 4503/4885RAB9A 3992/4885

“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.