SCHEMBL3729527

SCHEMBL3729527

CO/N=C(\C([NH])=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
PKM P14618 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.42
MAOB P27338 2/20 0.40
TP53 P04637 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL3729528 1.00 CES2 (0.50) CES2CES1KMT2ATDP1POLB
SCHEMBL9782343 1.00 CES2 (0.50) CES2CES1KMT2ATDP1POLB
SCHEMBL13983961 0.85 CES2 (0.52) CES2CES1KMT2ATDP1POLB
SCHEMBL4609969 0.85 CES2 (0.52) CES2CES1KMT2ATDP1POLB
SCHEMBL11457463 0.85 CES2 (0.52) CES2CES1KMT2ATDP1POLB
SCHEMBL2812477 0.85 CES2 (0.52) CES2CES1KMT2ATDP1POLB
SCHEMBL17426488 0.83 CES2 (0.50) CES2CES1KMT2ATDP1POLB
SCHEMBL12180935 0.83 CES2 (0.50) CES2CES1KMT2ATDP1POLB
SCHEMBL5217865 0.83 CES2 (0.50) CES2CES1KMT2ATDP1POLB
SCHEMBL9634783 0.83 CES2 (0.55) CES2CES1KMT2ATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 US disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed
US-5395931-A 6-amido-1-methyl-2-(substituted-thio)carbapenems MERCK & CO., INC. (US) 1995-03-07 US disclosed
EP-0222022-B1 PROCESS FOR PRODUCING BETA-LACTAM DERIVATIVES Otsuka Kagaku Kabushiki Kaisha (JP) 1992-09-23 EP disclosed
US-4210587-A 7-Acylamino-3-[1-[2-(carboxymethylamino)ethyl]tetrazol-5-ylthio methyl]-3-cephem-4-carboxylic acids SMITHKLINE CORPORATION (US) 1980-07-01 US disclosed
US-4174323-A BACTERICIDE, CEPHALOSPORIN INTERMEDIATES SMITHKLINE CORPORATION (US) 1979-11-13 US disclosed
US-4174324-A 3-(Carboxymethyl)thio-1H-1,2,4-triazol-5-thione SMITHKLINE CORPORATION (US) 1979-11-13 US disclosed
US-4164447-A TRANSFERS A CARBAMOYL GROUP TO 3-HYDROXYMETHYL CEPHALOSPORIN GLAXO LABORATORIES LIMITED (GB) 1979-08-14 US disclosed
EP-0000285-A1 7-Acylamino-3-((3-(carboxymethyl) thio-1 H-1,2,4-triazol-5-yl) thiomethyl)-3-cephem-4-carboxylic acid derivatives, processes for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-01-10 EP disclosed
EP-0000100-A1 7-Acylamino-3-(1-(2-sulfamoylaminoethyl)-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acids, a process for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1978-12-20 EP disclosed
US-4117124-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-09-26 US disclosed
US-4117123-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-09-26 US disclosed
US-4117125-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-09-26 US disclosed
US-3976546-A HYDROLYSIS, ESTERASE GLAXO LABORATORIES LIMITED (EN) 1976-08-24 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 (3 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 CES2 228/4885CES1 292/4885KMT2A 3465/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CES2 942/4885CES1 78/4885KMT2A 4375/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CES2 228/4885CES1 292/4885KMT2A 3465/4885

“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.