SCHEMBL17843459

SCHEMBL17843459

O=S(=O)(NCCOCCO)c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 1/20 0.48
KAT6A Q92794 1/20 0.47
KMT2A Q03164 1/20 0.44
FBP1 P09467 1/20 0.43
TPSAB1 Q15661 1/20 0.43
PGR P06401 1/20 0.42
TSHR P16473 1/20 0.42
TLR8 Q9NR97 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
BRD4 O60885 1/20 0.41
WDR5 P61964 1/20 0.41
MEP1B Q16820 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL30015741 0.85 ATM (0.70) ATMALDH1A1L3MBTL1CYP2C19KAT6A
SCHEMBL1348672 0.85 ATM (0.70) ATMALDH1A1L3MBTL1CYP2C19KAT6A
SCHEMBL30217982 0.85 ATM (0.56) ATMALDH1A1L3MBTL1KAT6AKMT2A
SCHEMBL23476689 0.82 ALDH1A1 (0.59) ALDH1A1CYP2C19GAA
SCHEMBL2377180 0.82 ATM (0.67) ATMALDH1A1L3MBTL1CYP2C19KAT6A
SCHEMBL12570968 0.81 ATM (0.65) ATMALDH1A1L3MBTL1CYP2C19KAT6A
SCHEMBL1348621 0.81 ATM (0.61) ATMALDH1A1L3MBTL1KAT6AKMT2A
SCHEMBL15899802 0.81 TPSAB1 (0.55) ALDH1A1CYP2C19KMT2AFBP1TPSAB1
SCHEMBL15899800 0.80 CYP2C19 (0.58) ALDH1A1CYP2C19KMT2AFBP1TLR8
SCHEMBL2006185 0.80 L3MBTL1 (0.64) ATMALDH1A1L3MBTL1CYP2C19KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3233835-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-10-25 EP 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
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 ATM 979/4885ALDH1A1 3089/4885L3MBTL1 1693/4885

“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.