SCHEMBL1131641

SCHEMBL1131641

COc1cccc(N)c1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ADRA2B P18089 1/20 0.52
PTGS1 P23219 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA2 P00918 12/20 0.46
PKM P14618 1/20 0.46
CA1 P00915 10/20 0.45
ACHE P22303 2/20 0.45
CA12 O43570 7/20 0.43
CA9 Q16790 6/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
CA14 Q9ULX7 4/20 0.41
CA4 P22748 2/20 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
Cyanide SCHEMBL27784410 0.95 ALDH1A1 (0.47) ALDH1A1ADRA2BPTGS1TDP1CA2
SCHEMBL6807395 0.88 CA2 (0.51) ALDH1A1ADRA2BPTGS1TDP1CA2
SCHEMBL28499563 0.85 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1CA2
SCHEMBL1607774 0.83 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1CA2
SCHEMBL5763665 0.83 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1CA2
SCHEMBL3600104 0.81 CA2 (0.46) ALDH1A1CA2CA1ACHECA12
SCHEMBL31536843 0.81 CA2 (0.46) ALDH1A1CA2CA1ACHECA12
SCHEMBL6731762 0.79 CA2 (0.47) ALDH1A1CA2CA1ACHECA12
SCHEMBL3772307 0.79 CA2 (0.45) ALDH1A1CA2CA1ACHECA12
SCHEMBL5399765 0.79 PTGES2 (0.54) ALDH1A1PTGS1TDP1CA2PKM

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-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
EP-2266977-B1 2,4-di[(hetero)arylamino]-pyrimidine derivatives as zap-70 and/or syk inhibitors NOVARTIS AG (CH) 2014-05-14 EP disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20130345180-A1 2,4- DIAMINOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2013-12-26 US disclosed
EP-1487805-A1 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2004-12-22 EP disclosed
WO-2004052313-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
WO-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
US-20040043987-A1 Novel compounds and their use as positive AMPA receptor modulators NEUROSEARCH A/S. 2004-03-04 US 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-2003078404-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2003-09-25 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
EP-1071426-A2 NOVEL COMPOUNDS AND THEIR USE AS POSITIVE AMPA RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2001-01-31 EP disclosed
WO-1999042456-A2 NOVEL COMPOUNDS AND THEIR USE AS POSITIVE AMPA RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-26 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 (8 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885ADRA2B 1067/4885PTGS1 2100/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 3674/4885ADRA2B 1129/4885PTGS1 1994/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885ADRA2B 1067/4885PTGS1 2100/4885
US-20020037894-A1 Benzothiadiazine compounds HCAR1, GLRA1, HCAR2 ALDH1A1 239/4885ADRA2B 155/4885PTGS1 1520/4885
US-20040043987-A1 Novel compounds and their use as positive AMPA receptor modulators GRIK4, GRIA4, GRM2 ALDH1A1 3816/4885ADRA2B 536/4885PTGS1 1087/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885ADRA2B 1086/4885PTGS1 1996/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885ADRA2B 1086/4885PTGS1 1996/4885
US-20130345180-A1 2,4- DIAMINOPYRIMIDINE DERIVATIVES ZAP70, SYK, BTK ALDH1A1 3656/4885ADRA2B 3041/4885PTGS1 3465/4885

“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.