SCHEMBL3789776

SCHEMBL3789776

CC(=O)SOc1ccccc1-c1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SCN9A Q15858 7/20 0.41
MAOA P21397 1/20 0.41
BRD4 O60885 1/20 0.40
CHRM3 P20309 3/20 0.40
PTPN5 P54829 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL3785607 0.91 MAP4K4 (0.40) ADRA2AADRA2BADRA2CSCN9AMAOA
SCHEMBL3792023 0.88 PTGDR2 (0.47) MAOABRD4TUBB4ATUBBTUBA3C
SCHEMBL3781473 0.88 TUBB4A (0.40) MAOABRD4TUBB4ATUBBTUBA3C
SCHEMBL3785148 0.83 NCOA1 (0.46) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3790313 0.82 NCOA1 (0.41) SCN9AALDH1A1KDM4EL3MBTL1
SCHEMBL3806882 0.82 ADORA3 (0.47) ADRA2AADRA2BADRA2CMAOABRD4
SCHEMBL3784621 0.81 MAP4K4 (0.39) ADRA2AADRA2BADRA2CMAOABRD4
SCHEMBL3783777 0.81 SMN1; SMN2 (0.41) MAOABRD4TUBB4ATUBBTUBA3C
SCHEMBL3786324 0.81 PTGDR2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3780508 0.81 PTGDR2 (0.58) BRD4TUBB4ATUBBTUBA3CTUBA1B

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 ADRA2A 3331/4885ADRA2B 2587/4885ADRA2C 2299/4885

“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.