SCHEMBL3780508

SCHEMBL3780508

CC(=O)SOc1ccc(N)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.58
BACE1 P56817 2/20 0.43
SLC6A9 P48067 1/20 0.39
BRD4 O60885 1/20 0.39
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL3792049 0.91 PTGDR2 (0.47) PTGDR2BACE1SLC6A9BRD4KDM4C
SCHEMBL3792023 0.90 PTGDR2 (0.47) PTGDR2BRD4ALDH1A1TUBB4ATUBB
SCHEMBL3786324 0.88 PTGDR2 (0.48) PTGDR2BACE1NCOA1NCOA3ALDH1A1
SCHEMBL3780727 0.84 PTGDR2 (0.40) PTGDR2BRD4KDM4CNCOA1ALDH1A1
SCHEMBL3785148 0.81 NCOA1 (0.46) PTGDR2BACE1NCOA1NCOA3ALDH1A1
SCHEMBL3785067 0.81 PTGDR2 (0.61) PTGDR2BACE1ALDH1A1NPC1ADORA3
SCHEMBL3789776 0.81 ADRA2A (0.43) BRD4ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL3790313 0.80 NCOA1 (0.41) PTGDR2BACE1NCOA1NCOA3ALDH1A1
SCHEMBL3791104 0.78 ALDH1A1 (0.39) PTGDR2BACE1ALDH1A1TUBB4ATUBB
SCHEMBL3781473 0.78 TUBB4A (0.40) PTGDR2BRD4ALDH1A1TUBB4ATUBB

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 PTGDR2 3672/4885BACE1 925/4885SLC6A9 3141/4885

“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.