SCHEMBL16776150

SCHEMBL16776150

CS(=O)(=O)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)CCCN3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ KARS1 Q15046 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ KRAS P01116 1/20 0.36
▸ FAAH O00519 3/20 0.36
▸ KIT P10721 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL16776153 0.89 FYN (0.42) SIRT2PIK3CAPIK3CGATRGAA
SCHEMBL16776116 0.89 PIK3C3 (0.43) KCNH2PIK3CAPIK3CGPIK3C3CYP11B2
SCHEMBL16776005 0.85 KARS1 (0.50) SIRT2KARS1FAAHKITSMN1; SMN2
SCHEMBL16776107 0.84 RAB9A (0.37) SIRT2FAAHGAAGSK3BCYP11B2
SCHEMBL16775818 0.84 ALOX15 (0.46) SIRT2KARS1FAAHKITCDK2
SCHEMBL16776016 0.84 WNT3A (0.40) KARS1CYP11B2
SCHEMBL16776186 0.83 CYP11B2 (0.41) SIRT2KARS1FAAHGSK3BCYP11B2
SCHEMBL16775959 0.83 ABL1 (0.43) SIRT2FAAHGSK3B
SCHEMBL16776059 0.83 CYP11B2 (0.37) FAAHGAACYP11B2
SCHEMBL16776096 0.83 USP30 (0.39) SIRT2KARS1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KCNH2 4052/4885SIRT2 3/4885KARS1 1760/4885

“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.

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