SCHEMBL9112974

SCHEMBL9112974

C[C@@H](COc1cnc(-c2nc3ccc(OCC4CC(F)(F)C4)cc3o2)c(F)c1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.43
ACACA Q13085 10/20 0.43
GPR88 Q9GZN0 1/20 0.37
F2RL3 Q96RI0 2/20 0.36

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
SCHEMBL9113460 0.94 ACACB (0.49) ACACBACACA
SCHEMBL9112940 0.94 ACACA (0.44) ACACBACACAF2RL3
SCHEMBL9110473 0.93 ACACB (0.50) ACACBACACAF2RL3
SCHEMBL9114057 0.92 ACACB (0.44) ACACBACACA
SCHEMBL9110012 0.90 ACACB (0.52) ACACBACACAGPR88F2RL3
SCHEMBL9110349 0.88 ACACB (0.37) ACACBACACAF2RL3
SCHEMBL9109713 0.87 ACACB (0.57) ACACBACACA
SCHEMBL9114851 0.87 TP53 (0.40) ACACBACACAF2RL3
SCHEMBL9111735 0.87 ACACB (0.51) ACACBACACA
SCHEMBL9114142 0.86 ACACA (0.51) ACACBACACAF2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 ACACB 2/4885ACACA 1/4885GPR88 2072/4885

“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.