SCHEMBL6771593

SCHEMBL6771593

O=S(=O)(c1ccccc1Br)n1cccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
PLCG1 P19174 1/20 0.50
HTR6 P50406 4/20 0.41
MAPT P10636 1/20 0.40
CHRM1 P11229 1/20 0.39
POLB P06746 1/20 0.38
AKR1B1 P15121 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
EDNRA P25101 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
LOX P28300 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
SCHEMBL29393942 1.00 CA1 (0.54) CA1CA2CA4CA6PLCG1
SCHEMBL25350141 0.78 LMNA (0.51) CA1CA2CA4CA6PLCG1
SCHEMBL27688842 0.75 MET (0.47) CA1CA2HTR6CYP3A4
SCHEMBL6024620 0.75 RAPGEF4 (0.53) CA1CA2EPHX2EDNRAL3MBTL1
SCHEMBL8935031 0.75 GAA (0.56) CA1CA2CA4CA6HTR6
SCHEMBL38660050 0.72 CA1 (0.68) CA1CA2CA4CA6PLCG1
SCHEMBL2475835 0.72 CA1 (0.68) CA1CA2CA4CA6PLCG1
SCHEMBL29973515 0.72 TSHR (0.66) CA1CA2CA4CA6MAPT
SCHEMBL15917236 0.72 TSHR (0.71) CA1CA2CA4CA6MAPT
SCHEMBL29391601 0.72 GAA (0.54) CA1CA2CA4CA6PLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 US claimed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 US disclosed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 US disclosed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2022036282-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-02-17 WO disclosed
CN-112125901-A Inhibitors of lysine-specific demethylase-1 赛尔基因昆蒂赛尔研究公司 2020-12-25 CN disclosed
CN-107074787-B Inhibitors of lysine-specific demethylase-1 赛尔基因昆蒂赛尔研究公司 2020-10-27 CN disclosed
EP-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
CN-1066441-C Phenyl sulfonamide endothelin antagonists SQUIBB & SONS INC (US) 2001-05-30 CN disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
CN-1084515-A Phenyl sulfamoyl endothelium (endothelin) antagonistic SQUIBB & SONS INC (US) 1994-03-30 CN disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 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-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE PGLS, BLVRB, CGAS CA1 1251/4885CA2 134/4885CA4 679/4885

“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.