SCHEMBL3789282

SCHEMBL3789282

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc2cc-2c1.OBO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
SOS1 Q07889 1/20 0.33
PAX8 Q06710 1/20 0.32
MT-CO2 P00403 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL3780747 0.79 MEN1 (0.40) BRD4PAX8
SCHEMBL3782136 0.76 MEN1 (0.39)
SCHEMBL10329954 0.75 SOS1 (0.38) BRD4SOS1PAX8MT-CO2NFKB1
SCHEMBL3784766 0.75 MEN1 (0.37)
SCHEMBL1053992 0.74 HSP90AA1 (0.36) SOS1PAX8MT-CO2
SCHEMBL3784941 0.73 BRD4 (0.35) BRD4PAX8
SCHEMBL20045606 0.72 HDAC1 (0.36) SOS1
SCHEMBL8736767 0.72 MEN1 (0.43) BRD4PAX8
SCHEMBL21598711 0.70 HCAR2 (0.42) MT-CO2
SCHEMBL30254455 0.70 HCAR2 (0.42) MT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 BRD4 96/4885SOS1 1291/4885PAX8 1194/4885

“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.