SCHEMBL3153289

SCHEMBL3153289

CC(C)CCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.59
KMT2A Q03164 1/20 0.57
GAA P10253 1/20 0.55
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 1/20 0.49
NAMPT P43490 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CYP19A1 P11511 1/20 0.49

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
SCHEMBL20327817 0.84 ALDH1A1 (0.62) KMT2AGAAHTTALDH1A1CA12
SCHEMBL9577239 0.83 SIGMAR1 (0.68) SIGMAR1KMT2AGAAALDH1A1CA1
SCHEMBL27896976 0.83 HTT (0.72) KMT2AGAAHTTALDH1A1CA12
SCHEMBL3704958 0.83 CA12 (0.71) KMT2AHTTALDH1A1NAMPTCA12
SCHEMBL26787768 0.83 ALDH1A1 (0.64) KMT2AGAAHTTALDH1A1CA12
SCHEMBL5649673 0.83 KMT2A (0.57) KMT2AHTTALDH1A1RAB9ANAMPT
SCHEMBL6568086 0.82 ALDH1A1 (0.61) KMT2AHTTALDH1A1NAMPT
SCHEMBL2934786 0.82 ALDH1A1 (0.67) SIGMAR1GAAALDH1A1CA1CA2
SCHEMBL3019231 0.80 SIGMAR1 (0.70) SIGMAR1GAAALDH1A1CA12CA1
SCHEMBL28719400 0.80 MMP2 (0.56) KMT2AGAAHTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-08-03 US claimed
EP-1575939-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP claimed
WO-2004055006-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO claimed
US-20100081660-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 BERG STEFAN 2010-04-01 US disclosed
US-7595319-B2 Useful for the prevention and/or treatment of cognitive disorders; 3-Amino-N-(3-nitrophenyl)-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide, for example ASTRAZENECA AB (SE) 2009-09-29 US disclosed
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-08-03 US disclosed
EP-1575939-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004055006-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 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 (2 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-20100081660-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 GSK3B, GSK3A, GSKIP SIGMAR1 2872/4885KMT2A 1492/4885GAA 967/4885
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 GSK3B, GSK3A, GSKIP SIGMAR1 2961/4885KMT2A 1300/4885GAA 903/4885

“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.