SCHEMBL9113472

SCHEMBL9113472

C[C@@H](COc1ccc(-c2nc3cc(OCCC4CC4)ccc3o2)nc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.47
ACACA Q13085 9/20 0.47
MAPT P10636 3/20 0.37
LNPEP Q9UIQ6 3/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACSL1 P33121 1/20 0.35

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
SCHEMBL9112604 0.93 ACACB (0.54) ACACBACACA
SCHEMBL9112039 0.91 ACACB (0.56) ACACBACACA
SCHEMBL15968429 0.85 ACACB (0.61) ACACBACACA
SCHEMBL9113117 0.85 ACACB (0.61) ACACBACACA
SCHEMBL9111840 0.84 ACACB (0.64) ACACBACACA
SCHEMBL16613050 0.84 MAPT (0.41) ACACBACACAMAPT
SCHEMBL9114852 0.80 ACACB (0.46) ACACBACACAMAPTTP53SMN1; SMN2
SCHEMBL9114681 0.80 ACACB (0.46) ACACBACACAMAPTTP53SMN1; SMN2
SCHEMBL9112686 0.79 ACACB (0.46) ACACBACACAMAPTSMN1; SMN2
SCHEMBL9112868 0.79 ACACB (0.45) ACACBACACAMAPTSMN1; SMN2

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 1/4885MAPT 3737/4885

“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.