SCHEMBL3499029

SCHEMBL3499029

CC(C)(C)N(C(=O)O)c1sc(-c2ccccn2)cc1C(=O)N1CCC(N2CCCC3(CC(=O)N(C4CCC4)C3=O)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ACACB O00763 17/20 0.39
ACACA Q13085 15/20 0.39
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
IKBKG Q9Y6K9 2/20 0.35

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
SCHEMBL3497601 0.98 CYP2C9 (0.40) CYP2C9ACACBACACAIKBKBCHUK
SCHEMBL3498033 0.92 ACACB (0.41) CYP2C9ACACBACACAIKBKBCHUK
SCHEMBL3496515 0.91 ACACB (0.46) CYP2C9ACACBACACAIKBKBCHUK
SCHEMBL3498667 0.86 ACACB (0.43) CYP2C9ACACBACACAIKBKBCHUK
SCHEMBL3496815 0.85 ACACB (0.54) CYP2C9ACACBACACA
SCHEMBL4722214 0.84 ACACB (0.44) CYP2C9ACACBACACAIKBKBCHUK
SCHEMBL3497216 0.84 ACACB (0.44) CYP2C9ACACBACACAIKBKBCHUK
SCHEMBL13312728 0.83 ACACB (0.44) CYP2C9ACACBACACAIKBKBCHUK
SCHEMBL3496627 0.82 ACACB (0.52) CYP2C9ACACBACACA
SCHEMBL4724543 0.82 ACACB (0.45) CYP2C9ACACBACACAIKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC CYP2C9 1717/4885ACACB 6/4885ACACA 1/4885

“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.