SCHEMBL287468

SCHEMBL287468

CC(C(=O)O)c1ccc(O)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
GAA P10253 2/20 0.63
ALOX12 P18054 1/20 0.63
HTT P42858 1/20 0.63
HIF1A Q16665 1/20 0.63
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
AKR1C3 P42330 12/20 0.51
AKR1C2 P52895 12/20 0.51
PTGS2 P35354 6/20 0.47
PTGS1 P23219 4/20 0.47
TSHR P16473 2/20 0.47
SLC22A6 Q4U2R8 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
CYP1A2 P05177 1/20 0.47
APP P05067 1/20 0.45

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
SCHEMBL15887346 0.89 ALDH1A1 (0.63) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL4129677 0.85 AKR1C3 (0.47) ALDH1A1HIF1AHPGDHSD17B10AKR1C3
SCHEMBL1002973 0.85 AKR1C3 (0.50) ALDH1A1HIF1AHPGDHSD17B10AKR1C3
SCHEMBL32660739 0.82 TDP1 (0.55) GAAHIF1AALOX15HSD17B10AKR1C3
SCHEMBL490579 0.82 TDP1 (0.55) GAAHIF1AALOX15HSD17B10AKR1C3
SCHEMBL28183228 0.81 TDP1 (0.53) GAAHIF1AALOX15HSD17B10AKR1C3
SCHEMBL31430560 0.81 ALDH1A1 (0.58) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL11216724 0.81 ALDH1A1 (0.58) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL732665 0.80 AKR1C3 (0.55) HIF1AHPGDAKR1C3AKR1C2PTGS2
SCHEMBL30526268 0.79 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR

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
US-20040034017-A1 4-fluoroalkyl-2h-benzopyrans anti-estogenic activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-19 US 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-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
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
EP-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
EP-1688413-A1 Benzoxazole derivatives for the prophylaxis and treatment of inflammatory bowel diseases Hikma Pharmaceuticals Co. Ltd. (JO) 2006-08-09 EP disclosed
US-20040209776-A1 Azole derivatives useful as insecticide FAROOQ SALEEM 2004-10-21 US disclosed
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed
EP-0293091-B1 POLY(AMIDE-BENZAZOLES) MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-01-13 EP disclosed
US-4816554-A HEAT RESISTANT POLYMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-28 US disclosed
EP-0293091-A1 Poly(amide-benzazoles) MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-30 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 1410/4885GAA 3356/4885ALOX12 3084/4885
US-20040034017-A1 4-fluoroalkyl-2h-benzopyrans anti-estogenic activity ESR2, CYP19A1, GPER1 ALDH1A1 758/4885GAA 445/4885ALOX12 730/4885

“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.