SCHEMBL3493702

SCHEMBL3493702

CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)CC(=O)N(CCC(=O)OCc1ccccc1)C(=O)O2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.51
ACACA Q13085 19/20 0.51

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
SCHEMBL13340195 0.93 ACACB (0.52) ACACBACACA
SCHEMBL13636921 0.93 ACACB (0.45) ACACBACACA
SCHEMBL3492190 0.90 ACACB (0.55) ACACBACACA
SCHEMBL3492849 0.86 ACACB (0.62) ACACBACACA
SCHEMBL3492160 0.85 ACACB (0.56) ACACBACACA
SCHEMBL3493551 0.85 ACACB (0.40) ACACBACACA
SCHEMBL13636698 0.79 ACACB (0.54) ACACBACACA
SCHEMBL13340192 0.77 ACACB (0.41) ACACBACACA
SCHEMBL3492988 0.77 ACACB (0.47) ACACBACACA
SCHEMBL3492986 0.77 ACACB (0.47) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B ACACB 5/4885ACACA 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.