SCHEMBL289875

SCHEMBL289875

CCc1ccc(Cl)c(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.50
CA1 P00915 14/20 0.50
CA7 P43166 6/20 0.50
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA13 Q8N1Q1 5/20 0.50
MAOB P27338 1/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
GSTO1 P78417 1/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 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
SCHEMBL299708 0.83 GSTO1 (0.45) CA2CA1CA7CA12CA6
SCHEMBL29651879 0.83 GSTO1 (0.45) CA2CA1CA7CA12CA6
SCHEMBL18535935 0.83 CA1 (0.48) CA2CA1CA7CA12CA6
SCHEMBL29469793 0.82 CA1 (0.42) CA2CA1CA7CA12CA6
SCHEMBL939720 0.81 PTGES2 (0.55) CA2CA1CA7CA12CA6
SCHEMBL7194983 0.81 CA1 (0.47) CA2CA1CA7CA12CA6
SCHEMBL18741085 0.81 CA2 (0.53) CA2CA1CA7CA12CA6
Hydrochloric Acid SCHEMBL27871176 0.80 GSTO1 (0.43) CA2CA1CA7CA12CA6
SCHEMBL2398831 0.80 CA1 (0.49) CA2CA1CA7CA12CA6
SCHEMBL7904621 0.79 CA2 (0.52) CA2CA1CA7CA12MAOB

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
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US claimed
US-9018228-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
EP-2427058-B1 NEMATOCIDAL SULFONAMIDES DU PONT (US) 2014-12-31 EP disclosed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8735588-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-27 US disclosed
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-27 US disclosed
CN-102413693-B Nematocidal sulfonamides DU PONT 2014-01-15 CN disclosed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed
CN-102413693-A Nematocidal sulfonamides DU PONT 2012-04-11 CN disclosed
EP-2427058-A2 NEMATOCIDAL SULFONAMIDES E. I. du Pont de Nemours and Company (US) 2012-03-14 EP disclosed
WO-2010129500-A2 NEMATOCIDAL SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-11 WO disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US 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 (7 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-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives MYLK2, MYLK, MYLK3 CA2 1957/4885CA1 4575/4885CA7 4397/4885
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CA2 923/4885CA1 990/4885CA7 1436/4885
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 CA2 710/4885CA1 1130/4885CA7 1313/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CA2 923/4885CA1 990/4885CA7 1436/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CA2 923/4885CA1 990/4885CA7 1436/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 CA2 4235/4885CA1 4705/4885CA7 4799/4885
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 CA2 2515/4885CA1 4801/4885CA7 4634/4885

“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.