SCHEMBL1333399

SCHEMBL1333399

CCCCCCOc1ccc(S([NH])(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
NR5A1 Q13285 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 2/20 0.54
PLA2G4B P0C869 1/20 0.53
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RARB P10826 3/20 0.50
LTA4H P09960 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL7519472 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10822913 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL8618398 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL9848218 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL6038442 0.95 CA12 (0.68) TSHRCA12CA1CA2CA7
SCHEMBL4529708 0.86 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL4527703 0.86 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL4537643 0.86 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL4533770 0.86 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL4524560 0.86 TSHR (0.62) TSHRCA12CA1CA2CA7

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 TSHR 2191/4885CA12 3959/4885CA1 2887/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK TSHR 2191/4885CA12 3959/4885CA1 2887/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK TSHR 2191/4885CA12 3959/4885CA1 2887/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK TSHR 2191/4885CA12 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.