SCHEMBL105982

SCHEMBL105982

COCOc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.56
HCAR3 P49019 6/20 0.55
CASP6 P55212 1/20 0.55
TSHR P16473 2/20 0.55
TTR P02766 1/20 0.54
PRSS1 P07477 4/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL30433755 0.89 MYC (0.56) HCAR3CASP6TSHRTTRLMNA
SCHEMBL2366810 0.87 HCAR3 (0.61) PLA2G4BHCAR3CASP6TSHRTTR
SCHEMBL106740 0.86 ALDH1A1 (0.52) PRSS1LMNAMAPTMEN1HPGD
SCHEMBL1402203 0.85 MAPT (0.65) PLA2G4BHCAR3CASP6TSHRPRSS1
Hydrochloric Acid SCHEMBL11776063 0.84 MAPT (0.64) PLA2G4BHCAR3CASP6TSHRPRSS1
SCHEMBL176357 0.83 TTR (0.68) HCAR3CASP6TSHRTTRLMNA
SCHEMBL177201 0.83 PLA2G4B (0.65) PLA2G4BHCAR3CASP6TSHRPRSS1
SCHEMBL1185562 0.83 ALDH1A1 (0.50) TSHRPRSS1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL9775617 0.82 TTR (0.67) CASP6TSHRTTRLMNAMAPT
SCHEMBL1749792 0.82 PLA2G4B (0.74) PLA2G4BHCAR3PRSS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459215-B 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmacy acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2016-03-02 CN disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
CN-102459215-A 3- (4-aminophenyl) -2-furancarboxylic acid derivatives and pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO 2012-05-16 CN disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2011007722-A1 3-SUBSTITUTED-2-FURANCARBOXYLIC ACID HYDRAZIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-01-20 WO disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 PLA2G4B 2246/4885HCAR3 320/4885CASP6 3786/4885

“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.