SCHEMBL14945757

SCHEMBL14945757

CCOOCc1sc2c(c1C)c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
ACACB O00763 2/20 0.41
GAA P10253 3/20 0.40
TP53 P04637 3/20 0.38
ACACA Q13085 1/20 0.37
POLB P06746 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ADORA2B P29275 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
SCHEMBL16920294 0.90 MAPT (0.45) MAPTTHRBACACBGAATP53
SCHEMBL14948754 0.85 MEN1 (0.50) MAPTTHRBACACBGAATP53
SCHEMBL14945754 0.84 ACACB (0.45) MAPTACACBACACAPOLBMEN1
SCHEMBL14945261 0.84 ACACB (0.54) MAPTTHRBACACBGAATP53
SCHEMBL14945761 0.76 ACACA (0.44) ACACBACACA
SCHEMBL14945762 0.76 ACACA (0.44) ACACBACACA
SCHEMBL14945753 0.76 ACACA (0.44) ACACBACACA
SCHEMBL14945491 0.75 ADORA2B (0.54) ACACBACACAADORA2B
SCHEMBL16920293 0.74 ACACB (0.48) ACACBACACAADORA2B
SCHEMBL22144398 0.72 ACACB (0.61) ACACBGAAACACA

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-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MAPT 2490/4885THRB 2648/4885ACACB 2/4885

“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.