SCHEMBL38572

SCHEMBL38572

CS(=O)(=O)Nc1cc(C#N)cc(C(=O)CBr)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNIK Q9UKE5 8/20 0.38
POLB P06746 1/20 0.38
PGR P06401 2/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
GPR35 Q9HC97 1/20 0.36
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
ATIC P31939 1/20 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
SCHEMBL38546 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TNIKPOLBPGR
SCHEMBL39167 0.80 POLB (0.56) ALDH1A1SMN1; SMN2TNIKPOLBPGR
SCHEMBL1120889 0.80 ALDH1A1 (0.43) GSK3BALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1120900 0.78 GSK3B (0.42) GSK3BALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL3508078 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TNIKPOLBPGR
SCHEMBL16602636 0.76 ALDH1A1 (0.40) GSK3BALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL19707542 0.74 GSK3B (0.58) GSK3BALDH1A1GPR35
SCHEMBL3508184 0.74 PGR (0.39) TNIKPGRNR3C1NR3C2AR
SCHEMBL1120803 0.74 ALDH1A1 (0.67) GSK3BALDH1A1SMN1; SMN2POLBPGR
SCHEMBL3847673 0.72 HPGD (0.57) GSK3BALDH1A1SMN1; SMN2HPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
EP-2214669-A1 CYTOKINE INHIBITORS Hutchison Medipharma Enterprises Limited (BS) 2010-08-11 EP disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 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 (1 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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A GSK3B 1103/4885ALDH1A1 391/4885SMN1; SMN2 4477/4885

“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.