SCHEMBL3974632

SCHEMBL3974632

COc1ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)c(C(=O)NN)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
HK2 P52789 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL3978027 0.92 CTSD (0.37) CTSDFABP3FABP4FABP5POLB
SCHEMBL3974207 0.92 ACLY (0.37) CTSDFABP3FABP4FABP5POLB
SCHEMBL3978639 0.92 HTT (0.37) CTSDFABP3FABP4FABP5POLB
SCHEMBL3977002 0.91 POLB (0.37) CTSDFABP3FABP4FABP5POLB
SCHEMBL3982340 0.91 CTSD (0.36) CTSDFABP3FABP4FABP5POLB
SCHEMBL3979544 0.89 HPGD (0.41) CTSDHTTLMNAKDM4EALDH1A1
SCHEMBL3978783 0.89 S1PR1 (0.35) CTSDFABP3FABP4FABP5POLB
SCHEMBL3980558 0.89 POLB (0.38) CTSDPOLBTP53LMNAKDM4E
SCHEMBL3982901 0.87 TP53 (0.33) CTSDPOLBTP53RXFP1LMNA
SCHEMBL3976794 0.87 TP53 (0.33) CTSDFABP3FABP4FABP5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 CTSD 2014/4885FABP3 1207/4885FABP4 1815/4885

“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.