SCHEMBL17755641

SCHEMBL17755641

COC(=O)c1ccc(-c2cn(C)c(=O)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.52
▸ FBP1 P09467 1/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ PTPN11 Q06124 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
SCHEMBL17756338 0.86 BRD4 (0.52) BRD4SCN9AL3MBTL1TSHRTRIM24
SCHEMBL31589747 0.85 BRD4 (0.55) BRD4L3MBTL1
SCHEMBL17753721 0.84 BRD4 (0.50) BRD4CA12CA1CA2CA9
SCHEMBL31589671 0.83 BRD4 (0.56) BRD4L3MBTL1
SCHEMBL31590648 0.83 BRD4 (0.70) BRD4L3MBTL1
SCHEMBL31590455 0.81 BRD4 (0.58) BRD4CA1CA2L3MBTL1
SCHEMBL31590489 0.80 BRD4 (0.56) BRD4L3MBTL1PTPN11
SCHEMBL15069180 0.77 BRD4 (0.49) BRD4L3MBTL1TSHRCYP2C9
SCHEMBL19639061 0.77 BRD9 (0.52) BRD4L3MBTL1
SCHEMBL23647192 0.76 BRD4 (0.51) BRD4

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-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — WO 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-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 BRD4 1/4885FBP1 2888/4885SCN9A 1663/4885

“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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