SCHEMBL4252835

SCHEMBL4252835

CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.55
ACACA Q13085 15/20 0.55
TNFSF11 O14788 2/20 0.53
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4255570 0.88 ACACB (0.59) ACACBACACA
SCHEMBL4261302 0.87 ACACB (0.64) ACACBACACA
SCHEMBL4261178 0.86 ACACB (0.59) ACACBACACA
SCHEMBL4256953 0.86 ACACB (0.57) ACACBACACA
SCHEMBL4261987 0.85 ACACB (0.58) ACACBACACA
SCHEMBL4252808 0.85 ACACB (0.59) ACACBACACAALDH1A1
SCHEMBL13969595 0.85 ACACB (0.58) ACACBACACA
SCHEMBL4255591 0.85 ACACB (0.61) ACACBACACA
SCHEMBL4257263 0.85 ACACB (0.58) ACACBACACAKMT2A
SCHEMBL4254216 0.84 ACACB (0.59) ACACBACACAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US claimed
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO claimed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US disclosed
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 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-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885TNFSF11 4417/4885

“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.