SCHEMBL3075739

SCHEMBL3075739

Nc1ccc(C2CCS(=O)(=O)CC2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC3 O15379 1/20 0.35
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34

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
SCHEMBL20093140 0.84 CA12 (0.41) KDM1ACA12CA1CA2CA4
SCHEMBL2572468 0.80 BACE1 (0.45) CA12CA1CA2CA4CA6
SCHEMBL3905771 0.79 BACE1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL3905212 0.78 ESR2 (0.49) IKBKETBK1CA12CA1CA2
SCHEMBL17669514 0.77 KDM1A (0.37) IKBKETBK1KDM1AMAOBSOS1
SCHEMBL1859340 0.75 CA12 (0.36) CA12CA1CA2CA4CA6
SCHEMBL24780723 0.74 KDM1A (0.54) KDM1AMAOBHDAC1LMNAKMT2A
SCHEMBL3086027 0.74 SLC18A3 (0.41) IKBKETBK1KDM1AMAOBSOS1
SCHEMBL4239463 0.74 CA12 (0.35) CA12CA1CA2CA4CA6
SCHEMBL16678945 0.74 MAPK1 (0.42) IKBKETBK1KDM1AMAOBSOS1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
EP-1807077-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-11-23 EP disclosed
EP-1807077-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-11-23 EP disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-8933091-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-8933091-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2008-02-28 US disclosed
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2008-02-28 US disclosed
WO-2007124369-A2 METHOD OF INHIBITING C KIT KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 US disclosed
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 US disclosed
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 US disclosed
WO-2007048088-A2 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 WO disclosed
US-20060281788-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060189623-A1 Inhibitors of c-fms kinase ILLIG CARL R 2006-08-24 US disclosed
US-20060148812-A1 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 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 (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-20060189623-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES IKBKE 55/4885TBK1 792/4885KDM1A 1695/4885
US-20060281788-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R IKBKE 64/4885TBK1 816/4885KDM1A 2863/4885
US-20060148812-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES IKBKE 55/4885TBK1 792/4885KDM1A 1695/4885
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 IKBKE 43/4885TBK1 749/4885KDM1A 784/4885
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE FLT3, PLK1, PHKG1 IKBKE 131/4885TBK1 181/4885KDM1A 1669/4885
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 IKBKE 43/4885TBK1 749/4885KDM1A 784/4885

“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.