SCHEMBL4076917

SCHEMBL4076917

CP1(=O)OCc2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
BCHE P06276 2/20 0.34
HSD17B3 P37058 1/20 0.33
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL13665385 1.00 MAOA (0.34) MAOAMAOBBCHEHSD17B3NISCH
SCHEMBL264532 1.00 MAOA (0.34) MAOAMAOBBCHEHSD17B3NISCH
SCHEMBL10267838 0.81 MAOA (0.37) MAOAMAOBHSD17B3
SCHEMBL26320515 0.77 MAOA (0.34) MAOAMAOBBCHENISCH
SCHEMBL17725195 0.77 BCHE (0.34) MAOAMAOBBCHENISCH
SCHEMBL17537081 0.77 GPR84 (0.40) MAOAMAOBBCHEHSD17B3NISCH
SCHEMBL3807251 0.77 MAOA (0.34) MAOAMAOBBCHENISCH
SCHEMBL12875556 0.77 BCHE (0.42) MAOAMAOBBCHEHSD17B3
SCHEMBL11509206 0.77 BCHE (0.42) MAOAMAOBBCHEHSD17B3
SCHEMBL29868583 0.77 BCHE (0.33) MAOAMAOBBCHEHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 US disclosed
EP-3042910-A2 2'-SPIRO-NUCLEOSIDES FOR USE IN THE THERAPY OF HEPATITIS C Gilead Pharmasset LLC (US) 2016-07-13 EP disclosed
WO-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 WO disclosed
US-8742094-B2 Method for the solid phase-based production of phosphate-bridged nucleoside conjugates UNIVERSITAET HAMBURG (DE) 2014-06-03 US disclosed
US-8629265-B2 Method for producing phosphate-bridged nucleoside conjugates UNIVERSITAET HAMBURG (DE) 2014-01-14 US disclosed
US-8440813-B2 Antiviral nucleoside analogs BIOCRYST PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
WO-2012075140-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-06-07 WO disclosed
US-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120116067-A1 METHOD FOR THE SOLID PHASE-BASED PRODUCTION OF PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES UNIVERSITAET HAMBURG (DE) 2012-05-10 US disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-7994139-B2 Antiviral therapeutic agents BIOCRYST PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-20110137023-A1 METHOD FOR PRODUCING PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES UNIVERSITAET HAMBURG (DE) 2011-06-09 US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 US disclosed
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US 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 (9 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP MAOA 3889/4885MAOB 3684/4885BCHE 2791/4885
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS MAOA 3118/4885MAOB 2518/4885BCHE 4567/4885
US-20110137023-A1 METHOD FOR PRODUCING PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES TYMP, PNP, NUDT1 MAOA 1342/4885MAOB 880/4885BCHE 1720/4885
US-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS MAOA 3580/4885MAOB 3872/4885BCHE 4228/4885
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS TYMP, SAMHD1, TYMS MAOA 2725/4885MAOB 2704/4885BCHE 3791/4885
US-20120116067-A1 METHOD FOR THE SOLID PHASE-BASED PRODUCTION OF PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES PNP, TYMP, DPYD MAOA 1236/4885MAOB 914/4885BCHE 1310/4885
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS MAOA 3580/4885MAOB 3872/4885BCHE 4228/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS MAOA 3118/4885MAOB 2518/4885BCHE 4567/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC MAOA 3848/4885MAOB 3174/4885BCHE 1956/4885

“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.