SCHEMBL765625

SCHEMBL765625

CNC(C)c1cc(F)c(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
ALDH1A1 P00352 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.32
MAP4K1 Q92918 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL18854487 0.82 ALDH1A1 (0.33) ALDH1A1MAP4K1ADRB2ADRB1ADRB3
SCHEMBL19595082 0.82 ALDH1A1 (0.33) ALDH1A1MAP4K1ADRB2ADRB1ADRB3
SCHEMBL4827316 0.78 ALDH1A1 (0.36) CES2CES1ALDH1A1HTR2ASLC6A4
SCHEMBL17790211 0.78 ALDH1A1 (0.36) CES2CES1ALDH1A1HTR2ASLC6A4
SCHEMBL4827313 0.78 ALDH1A1 (0.36) CES2CES1ALDH1A1HTR2ASLC6A4
SCHEMBL13267451 0.77 ALDH1A1 (0.41) CES2CES1ALDH1A1ADRB1ADRB3
SCHEMBL8354107 0.77 ALDH1A1 (0.41) CES2CES1ALDH1A1ADRB1ADRB3
SCHEMBL178544 0.77 ALDH1A1 (0.41) CES2CES1ALDH1A1ADRB1ADRB3
SCHEMBL15107742 0.74 AKR1C3 (0.43) ALDH1A1
SCHEMBL2669160 0.74 AKR1C3 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 CES2 359/4885CES1 886/4885ALDH1A1 96/4885

“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.