SCHEMBL17860988

SCHEMBL17860988

O=S(=O)(c1cccc(Br)c1)N1CC[C@@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR183 P32249 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.44
LMNA P02545 1/20 0.44
MMP2 P08253 1/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSC P53634 1/20 0.43
TDO2 P48775 2/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL17843469 1.00 MBTD1 (0.61) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL17861034 1.00 MBTD1 (0.61) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL3711656 0.92 MBTD1 (0.59) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL17843466 0.92 MBTD1 (0.59) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL17861096 0.92 MBTD1 (0.59) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL3711340 0.91 MBTD1 (0.68) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL17843460 0.88 MBTD1 (0.56) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL15076694 0.83 SIRT2 (0.72) MEN1KMT2AALDH1A1NPSR1SIRT2
SCHEMBL19457367 0.83 EPHX2 (0.55) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL2856989 0.83 PKLR (0.57) ALDH1A1NPSR1LMNAAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107148417-B Benzazepine sulfonamide compounds 豪夫迈·罗氏有限公司 2020-09-08 CN disclosed
EP-3233835-B1 BENZAZEPINE SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-01-23 EP disclosed
EP-3233835-B1 BENZAZEPINE SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-01-23 EP disclosed
US-9890124-B2 Benzazepine sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
US-9890124-B2 Benzazepine sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
US-9890124-B2 Benzazepine sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
US-20170275253-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-09-28 US disclosed
US-20170275253-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-09-28 US disclosed
US-20170275253-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-09-28 US disclosed
WO-2016096778-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 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-20170275253-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS TLR8, TLR7, TLR5 MBTD1 1620/4885L3MBTL3 1783/4885MEN1 3548/4885

“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.