SCHEMBL9111126

SCHEMBL9111126

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.36
ACACA Q13085 3/20 0.36
F2RL3 Q96RI0 3/20 0.35
MAPT P10636 2/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9112723 0.94 ACACB (0.36) ACACBACACAF2RL3MAPTTLR9
SCHEMBL9112935 0.93 ACACB (0.42) ACACBACACA
SCHEMBL9114142 0.85 ACACA (0.51) ACACBACACAF2RL3
SCHEMBL9114523 0.85 ACACB (0.37) ACACBACACAF2RL3
SCHEMBL16622800 0.84 ACACB (0.37) ACACBACACAF2RL3
SCHEMBL9112940 0.83 ACACA (0.44) ACACBACACAF2RL3
SCHEMBL9112166 0.83 ACACB (0.43) ACACBACACA
SCHEMBL9114851 0.81 TP53 (0.40) ACACBACACAF2RL3MAPTPOLB
SCHEMBL9113621 0.81 ACACB (0.44) ACACBACACA
SCHEMBL9114578 0.80 ACACB (0.43) ACACBACACAF2RL3MAPT

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 7 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-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US 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
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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 1/4885F2RL3 4054/4885

“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.