SCHEMBL3978083

SCHEMBL3978083

CC(C)(C)[Si](C)(C)OCc1cocc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
TACR1 P25103 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PIN1 Q13526 2/20 0.32
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
ESR1 P03372 1/20 0.31
EPHX1 P07099 1/20 0.30
ADRB2 P07550 2/20 0.30
ADRB1 P08588 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
BTN3A1 O00481 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
SCHEMBL4685077 0.80 BACE1 (0.37) BACE1
SCHEMBL4685089 0.76 BACE1 (0.36) BACE1
SCHEMBL1315036 0.75 IDO1 (0.46) BACE1IDO1AGXTBTN3A1
SCHEMBL27554770 0.73 PIN1 (0.34) PDCD1CD274PIN1IDO1AGXT
SCHEMBL2750402 0.72 BACE1 (0.47) BACE1TACR1PDCD1CD274IDO1
SCHEMBL3799787 0.71 BACE1 (0.42) BACE1TACR1
SCHEMBL3796508 0.71 BACE1 (0.37) BACE1TACR1
SCHEMBL610829 0.71 TACR1 (0.37) BACE1TACR1
SCHEMBL2367765 0.70 AGXT (0.42) BACE1TACR1IDO1AGXTESR1
SCHEMBL4279549 0.70 TACR1 (0.41) BACE1TACR1NPC1POLB

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 BACE1 2433/4885TACR1 485/4885PDCD1 3762/4885

“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.