SCHEMBL14945811

SCHEMBL14945811

CCc1sc2c(c1C)c(=O)n(CC(N)=O)c(=O)n2C[C@@H](OC(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.41
KMT2A Q03164 3/20 0.41
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 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
SCHEMBL14945804 1.00 ADORA2B (0.41) ADORA2BKMT2AACACBACACAMAPT
SCHEMBL14945809 0.93 ADORA2B (0.42) ADORA2BKMT2AACACBACACAMAPT
SCHEMBL14945781 0.93 ADORA2B (0.42) ADORA2BKMT2AACACBACACAMAPT
SCHEMBL14945518 0.88 ACACB (0.45) ADORA2BKMT2AACACBACACA
SCHEMBL14945784 0.88 ADORA2B (0.39) ADORA2BKMT2AACACBACACAMAPT
SCHEMBL14936052 0.87 ACACB (0.54) ADORA2BKMT2AACACBACACAMEN1
SCHEMBL14936053 0.87 ACACB (0.54) ADORA2BKMT2AACACBACACAMEN1
SCHEMBL16920300 0.83 ADORA2B (0.43) ADORA2BKMT2AACACBACACAMAPT
SCHEMBL16920298 0.83 ADORA2B (0.43) ADORA2BKMT2AACACBACACAMAPT
SCHEMBL16920299 0.83 ADORA2B (0.43) ADORA2BKMT2AACACBACACAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
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 (3 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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885KMT2A 2071/4885ACACB 2/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885KMT2A 2071/4885ACACB 2/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885KMT2A 2071/4885ACACB 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.