SCHEMBL1523031

SCHEMBL1523031

COc1cccc(S(N)(=O)=O)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.50
CA1 P00915 8/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 4/20 0.50
PKM P14618 2/20 0.50
EP300 Q09472 1/20 0.49
HTR6 P50406 1/20 0.46
CA5A P35218 2/20 0.45
CYP2C9 P11712 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ACHE P22303 2/20 0.45
PTGES2 Q9H7Z7 3/20 0.44
ALDH1A1 P00352 1/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
Cyanide SCHEMBL27784346 0.95 CA2 (0.47) CA2CA1CA9CA12PKM
SCHEMBL31071497 0.85 HTR6 (0.46) CA2CA1CA9CA12PKM
SCHEMBL1607289 0.83 TTR (0.46) CA2CA1CA9CA12HTR6
SCHEMBL529620 0.82 HTR6 (0.60) CA2CA1CA9CA12PKM
SCHEMBL29581383 0.82 HTR6 (0.60) CA2CA1CA9CA12PKM
SCHEMBL791503 0.81 CA2 (0.50) CA2CA1CA9CA12PKM
SCHEMBL11153056 0.81 CA2 (0.50) CA2CA1CA9CA12PKM
SCHEMBL30832693 0.80 GLA (0.44) CA2CA1HTR6ACHEALDH1A1
SCHEMBL23084437 0.80 ALDH1A1 (0.45) CA2CA1CA9CA12EP300
Hydrochloric Acid SCHEMBL4910433 0.80 HTR6 (0.58) CA2CA1CA9CA12PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
US-6635635-B2 5,5-dioxo-2,3,3a,4-tetrahydro-1 H-pyrrolo(2,1-c)(1,2,4)-benzothiadiazin-7-ol, for example; nervous system disorders; alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) modulators LES LABORATOIRES SERVIER (FR) 2003-10-21 US disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO disclosed
US-20020037894-A1 Benzothiadiazine compounds ADIR ET COMPAGNIE (FR) 2002-03-28 US disclosed
EP-1176148-A1 Benzothiadiazine derivatives, processes for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2002-01-30 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 (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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 CA2 4750/4885CA1 4881/4885CA9 4375/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB CA2 4395/4885CA1 4367/4885CA9 3535/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CA2 4484/4885CA1 4607/4885CA9 4098/4885
US-20020037894-A1 Benzothiadiazine compounds HCAR1, GLRA1, HCAR2 CA2 1488/4885CA1 1650/4885CA9 4232/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CA2 4440/4885CA1 4765/4885CA9 4070/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CA2 4395/4885CA1 4367/4885CA9 3535/4885

“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.