SCHEMBL4137957

SCHEMBL4137957

Cc1cc(O)c([N+](=O)[O-])cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.48
ALDH1A1 P00352 4/20 0.48
TTR P02766 4/20 0.48
MAPK1 P28482 3/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL309964 0.92 GPR35 (0.48) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL31757000 0.92 GPR35 (0.48) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL3621333 0.85 ALDH1A1 (0.48) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL62337 0.84 GPR35 (0.54) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL518140 0.84 GPR35 (0.50) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL8580180 0.82 GPR35 (0.52) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL187542 0.82 TDP1 (0.50) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL1828398 0.82 ALDH1A1 (0.51) GPR35ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL29664349 0.82 GPR35 (0.52) GPR35ALDH1A1TTRMAPK1HPGD
SCHEMBL29805163 0.82 TDP1 (0.50) GPR35ALDH1A1TTRMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
CN-109923111-A ANTIBIOTIC COMPOUNDS 迪斯库瓦有限公司 2019-06-21 CN disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
CN-100595204-C Bisaminated phosphonate prodrugs METABASIS THERAPEUTICS INC 2010-03-24 CN disclosed
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
CN-1740182-A Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS INC (US) 2006-03-01 CN disclosed
US-6965033-B2 Bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. (US) 2005-11-15 US disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
CN-1434828-A Novel bisaminophosphonate prodrugs METABASIS THERAPEUTICS INC (US) 2003-08-06 CN disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 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 (4 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 GPR35 4180/4885ALDH1A1 852/4885TTR 1021/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 GPR35 3873/4885ALDH1A1 1609/4885TTR 922/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 GPR35 1158/4885ALDH1A1 3333/4885TTR 4709/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 GPR35 3873/4885ALDH1A1 1609/4885TTR 922/4885

“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.