SCHEMBL286993

SCHEMBL286993

CC(C(=O)O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 3/20 0.50
GRM6 O15303 3/20 0.50
GRM4 Q14833 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
GRM7 Q14831 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 6/20 0.48
AKR1C2 P52895 6/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL286995 1.00 GRM8 (0.50) GRM8GRM6GRM4ALDH1A1MAPT
SCHEMBL15887345 0.90 ALDH1A1 (0.50) GRM8GRM6GRM4ALDH1A1MAPT
SCHEMBL27541170 0.89 ALDH1A1 (0.51) GRM8GRM6GRM4ALDH1A1MAPT
SCHEMBL4142382 0.87 GRM8 (0.50) GRM8GRM4TSHRGPR35AKR1C3
SCHEMBL11444826 0.86 GRM4 (0.49) GRM8GRM6GRM4ALDH1A1MAPT
SCHEMBL31212652 0.84 TSHR (0.57) GRM8GRM6GRM4ALDH1A1MAPT
SCHEMBL18458413 0.84 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1AKR1C3AKR1C2
SCHEMBL31430568 0.83 MT-CO2 (0.50) GRM8GRM6GRM4ALDH1A1MAPT
SCHEMBL11681114 0.83 MT-CO2 (0.50) GRM8GRM6GRM4ALDH1A1MAPT
SCHEMBL1026668 0.83 ALDH1A1 (0.56) GRM8GRM6GRM4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101941950-A 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2011-01-12 CN claimed
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP claimed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US claimed
US-20150140573-A1 ASSAYS FOR DETECTING GLUCOSIDASE ACTIVITY MEGAZYME INTERNATIONAL IRELAND (IE) 2015-05-21 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
WO-2013185771-A1 ASSAYS FOR DETECTING GLUCOSIDASE ACTIVITY CARLSBERG A/S, CARLSBERG FORSKNINGSCENTER (DK) 2013-12-19 WO disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
CN-101941950-B 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2012-12-26 CN disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20040209776-A1 Azole derivatives useful as insecticide FAROOQ SALEEM 2004-10-21 US disclosed
CN-1533389-A Azole derivatives useful as insecticide 2004-09-29 CN disclosed
EP-1414818-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE Syngenta Limited (GB) 2004-05-06 EP disclosed
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed
WO-2003011861-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE SYNGENTA LIMITED (GB) 2003-02-13 WO disclosed
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 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 (1 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-20040209776-A1 Azole derivatives useful as insecticide CYP8B1, HRH2, API5 GRM8 2974/4885GRM6 3097/4885GRM4 2753/4885

“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.