SCHEMBL1333401

SCHEMBL1333401

CCCCCCOc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.90
CA12 O43570 13/20 0.90
CA1 P00915 13/20 0.90
CA9 Q16790 13/20 0.90
CA7 P43166 4/20 0.90
TSHR P16473 1/20 0.90
CA4 P22748 4/20 0.65
HRH3 Q9Y5N1 3/20 0.57
KCNH2 Q12809 1/20 0.56
NR5A1 Q13285 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8618402 1.00 CA2 (0.90) CA2CA12CA1CA9CA7
SCHEMBL9848224 1.00 CA2 (0.90) CA2CA12CA1CA9CA7
SCHEMBL6550862 1.00 CA2 (0.90) CA2CA12CA1CA9CA7
SCHEMBL10822914 1.00 CA2 (0.90) CA2CA12CA1CA9CA7
SCHEMBL1376263 0.98 CA2 (0.93) CA2CA12CA1CA9CA7
SCHEMBL615392 0.95 CA2 (1.00) CA2CA12CA1CA9CA7
SCHEMBL19891669 0.91 CA12 (0.79) CA2CA12CA1CA9CA7
SCHEMBL28817746 0.89 CA1 (0.70) CA2CA12CA1CA9CA7
SCHEMBL5595956 0.87 CA1 (1.00) CA2CA12CA1CA9CA7
SCHEMBL28005088 0.87 CA1 (0.72) CA2CA12CA1CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-8604031-B2 Intracellular kinase inhibitors MANNKIND CORPORATION (US) 2013-12-10 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
EP-2027087-A2 INTRACELLULAR KINASE INHIBITORS MannKind Corporation (US) 2009-02-25 EP disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 WO disclosed
US-20040220054-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-11-04 US disclosed
EP-1473591-A1 Recording material FUJI PHOTO FILM CO., LTD. (JP) 2004-11-03 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK CA2 1861/4885CA12 3959/4885CA1 2887/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CA2 1861/4885CA12 3959/4885CA1 2887/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CA2 1861/4885CA12 3959/4885CA1 2887/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CA2 1861/4885CA12 3959/4885CA1 2887/4885

“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.