SCHEMBL20506937

SCHEMBL20506937

Cn1cc(-c2cccc(S(N)(=O)=O)c2)ccc1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.58
▸ CA2 P00918 7/20 0.49
▸ CA9 Q16790 6/20 0.49
▸ CA12 O43570 4/20 0.49
▸ MAOB P27338 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ CA1 P00915 6/20 0.47
▸ CA13 Q8N1Q1 2/20 0.46
▸ PTGS2 P35354 1/20 0.44
▸ ALOX5 P09917 1/20 0.44

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
SCHEMBL20506998 0.79 BRD4 (0.61) BRD4CA2CA9CA12MAOB
SCHEMBL16658396 0.77 BRD4 (0.54) BRD4CA2CA9CA12CA1
SCHEMBL28032548 0.76 CA2 (0.73) CA2CA9CA12CA1CA13
SCHEMBL13680661 0.76 BRD4 (0.64) BRD4
SCHEMBL22802355 0.75 CA2 (0.45) BRD4CA2CA9CA12CA1
SCHEMBL19280560 0.74 BRD4 (0.62) BRD4
SCHEMBL6850257 0.74 MAOA (0.68) CA2CA9CA12MAOBMAOA
SCHEMBL16650561 0.74 BRD4 (1.00) BRD4
SCHEMBL9919107 0.73 BRD4 (0.59) BRD4
SCHEMBL1926937 0.73 CA2 (0.67) CA2CA9CA12CA1CA13

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-10562915-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-18 — — US disclosed
US-20180273547-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-09-27 — — US disclosed
US-9288869-B2 Styryl-based compound, composition containing styryl-based compound, and organic light emitting diode including styryl-based compound SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-15 — — US 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 (2 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-10562915-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885CA2 3892/4885CA9 3995/4885
US-20180273547-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885CA2 3892/4885CA9 3995/4885

“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.

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