SCHEMBL3495358

SCHEMBL3495358

COc1cccc2c(C(=O)N3CCC4(CC3)CC(=O)c3cc(-c5noc(=O)[nH]5)ccc3O4)c(NC(=O)C(F)(F)F)sc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.41
ACACA Q13085 2/20 0.38

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
SCHEMBL3495357 1.00 ACACB (0.41) ACACBACACA
SCHEMBL3492643 0.90 ACACB (0.48) ACACBACACA
SCHEMBL3492645 0.90 ACACB (0.48) ACACBACACA
SCHEMBL3493036 0.88 ACACB (0.44) ACACBACACA
SCHEMBL1813875 0.81 ACACB (0.46) ACACBACACA
SCHEMBL3492214 0.80 ACACB (0.46) ACACBACACA
SCHEMBL3492220 0.80 ACACB (0.46) ACACBACACA
SCHEMBL3492814 0.80 ACACB (0.48) ACACBACACA
SCHEMBL3492811 0.80 ACACB (0.48) ACACBACACA
SCHEMBL3495060 0.78 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 2 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
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.