SCHEMBL533002

SCHEMBL533002

CC(=O)c1ccccc1S(=O)(=O)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA5A P35218 1/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7917646 0.83 CA1 (0.42) BCAT2CA1CA2CA9CA5A
SCHEMBL24458009 0.82 TSHR (0.37) BCAT2CA1CA2CA9CA5A
SCHEMBL10601532 0.82 CA9 (0.37) BCAT2CA1CA2CA9CA5A
SCHEMBL3645882 0.81 ALDH1A1 (0.48) BCAT2CA1CA2CA9CA5A
SCHEMBL722597 0.81 BCAT2 (0.44) BCAT2CA1CA2CA9CA5A
SCHEMBL135801 0.81 CA1 (0.60) CA1CA2CA9MMP1MMP2
SCHEMBL6631818 0.81 BCAT2 (0.62) BCAT2CA1CA2CA9CA5A
SCHEMBL30455577 0.81 BCAT2 (0.62) BCAT2CA1CA2CA9CA5A
Hydrochloric Acid SCHEMBL7552816 0.79 BCAT2 (0.43) BCAT2CA1CA2CA9CA5A
SCHEMBL2511276 0.79 CA1 (0.65) BCAT2CA1CA2CA9CA5A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases Isosterix, Inc. 2024-05-07 US disclosed
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. 2023-09-28 US disclosed
US-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2023-03-16 US disclosed
CN-111494380-B Application of DB-1 in preparation of medicine for preventing and treating NLRP3 inflammation body related diseases and pharmaceutical composition thereof 中国药科大学 2022-06-28 CN disclosed
CN-111494380-A Application of DB-1 in preparation of medicine for preventing and treating N L RP3 inflammasome-related diseases and pharmaceutical composition thereof 中国药科大学 2020-08-07 CN disclosed
CN-108164503-B A kind of heteroaromatic and the disubstituted benzenesulfonamides of alkyl side chain and its preparing the application in anti-influenza A virus medicament 武汉大学 2019-09-17 CN disclosed
CN-106279167-B Matrine compound derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2018-11-13 CN disclosed
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2018-10-11 US disclosed
CN-108164503-A A kind of heteroaromatic and the disubstituted benzenesulfonamides of alkyl side chain and its application in anti-influenza A virus medicament is prepared 武汉大学 2018-06-15 CN disclosed
CN-106905319-A The preparation method of substitution benzene sulfonyl kuh-seng butane or its hydrochloride 中国医学科学院医药生物技术研究所 2017-06-30 CN disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US disclosed
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed
WO-2002051410-A2 PHENYLTHIAZOLE AND THIAZOLINE DERIVATIVES AND THEIR USE AS ANTIPARASITICS AKZO NOBEL N.V. (NL) 2002-07-04 WO disclosed
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 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 (6 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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 BCAT2 1826/4885CA1 2141/4885CA2 1262/4885
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 BCAT2 1147/4885CA1 1741/4885CA2 1885/4885
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES KAT6A, KAT6B, KAT2A BCAT2 270/4885CA1 3845/4885CA2 4141/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 BCAT2 1826/4885CA1 2141/4885CA2 1262/4885
US-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 BCAT2 1147/4885CA1 1741/4885CA2 1885/4885
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases KAT6A, KAT6B, KAT2A BCAT2 270/4885CA1 3845/4885CA2 4141/4885

“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.