SCHEMBL3975683

SCHEMBL3975683

Cc1cc(C)c(C)c(COc2ccc(-c3ccoc3C(=O)OC(=O)c3ccc(O)c(C#N)c3C(=O)NN)cc2)c1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3976994 0.92 ALOX15 (0.31) ESR1TP53POLBAPEX1MAPK1
SCHEMBL3977768 0.88 ADCYAP1R1 (0.32)
SCHEMBL3983957 0.86 GCGR (0.38) ESR1TP53POLBAPEX1MAPK1
SCHEMBL3979525 0.85 MCL1 (0.40) TDP1
SCHEMBL3976663 0.83 CD274 (0.33)
SCHEMBL4260133 0.83 FFAR1 (0.32)
SCHEMBL3978276 0.82 GRM2 (0.34) TP53L3MBTL1
SCHEMBL3977066 0.82 CD274 (0.32)
SCHEMBL3979343 0.81 SPHK2 (0.36) ESR1TP53POLBAPEX1MAPK1
SCHEMBL3974765 0.81 ALDH1A1 (0.36) ESR1POLBMAPK1L3MBTL1

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 6 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 claimed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US claimed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP claimed
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 ESR1 503/4885TP53 2395/4885POLB 4676/4885

“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.