SCHEMBL9110113

SCHEMBL9110113

CCOc1ccc2cn(-c3ccc(OC[C@H](C)NC(=O)O)cc3F)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.41
DGAT1 O75907 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
GCG P01275 1/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PPARA Q07869 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9909866 0.93 ACACB (0.47) ACACB
Water SCHEMBL9112905 0.92 ACACB (0.46) ACACB
SCHEMBL9111224 0.88 ACACB (0.47) ACACBS1PR1S1PR3
SCHEMBL9113152 0.87 GCG (0.43) ACACBDGAT1AKR1C3AKR1C2GCG
SCHEMBL9111177 0.81 ACACB (0.55) ACACB
SCHEMBL9112899 0.81 ACACB (0.46) ACACB
SCHEMBL9111891 0.79 ACACB (0.50) ACACB
SCHEMBL15968087 0.76 ACACB (0.46) ACACB
SCHEMBL9113488 0.76 ACACB (0.48) ACACB
SCHEMBL9113694 0.74 PTGS2 (0.38) ACACBDGAT1GPR88

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 2/4885DGAT1 170/4885S1PR1 3240/4885

“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.