SCHEMBL14945671

SCHEMBL14945671

CCc1sc2c(c1C)c(=O)n(COC=O)c(=O)n2CCc1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.45
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL14945672 0.80 ADORA2B (0.44) ADORA2BACACBACACA
SCHEMBL29538642 0.70 ACACB (0.64) ADORA2BACACBACACA
SCHEMBL14936501 0.70 ACACB (0.64) ADORA2BACACBACACA
SCHEMBL14948734 0.67 ACACB (0.57) ADORA2BACACBACACA
SCHEMBL14945687 0.66 ADORA2B (0.58) ADORA2BACACBACACA
SCHEMBL14945692 0.65 ADORA2B (0.66) ADORA2B
SCHEMBL14945674 0.64 ACACB (0.49) ADORA2BACACBACACA
SCHEMBL14936401 0.64 ACACB (0.69) ADORA2BACACBACACA
SCHEMBL14945146 0.64 ACACB (0.53) ADORA2BACACBACACA
SCHEMBL14945659 0.63 ADORA2B (0.55) ADORA2BACACBACACA

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 3395/4885ACACB 2/4885ACACA 1/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885ACACB 2/4885ACACA 1/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885ACACB 2/4885ACACA 1/4885

“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.