SCHEMBL14945319

SCHEMBL14945319

COc1ccccc1CCn1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c2c(C)c(Br)sc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.61
ACACA Q13085 9/20 0.45
P2RX3 P56373 2/20 0.40
ADORA2B P29275 5/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL14950652 0.91 ACACB (0.56) ACACBACACAADORA2BHDAC1HDAC11
SCHEMBL14945146 0.91 ACACB (0.53) ACACBACACAADORA2B
SCHEMBL14945175 0.90 ACACB (0.52) ACACBACACAADORA2B
SCHEMBL20672376 0.90 ACACB (0.60) ACACBACACAADORA2B
SCHEMBL22994467 0.88 ACACA (0.51) ACACBACACAP2RX3ADORA2B
SCHEMBL14945739 0.88 ACACB (0.51) ACACBACACAP2RX3ADORA2B
SCHEMBL14950711 0.87 ADORA2B (0.53) ACACBACACAP2RX3ADORA2B
SCHEMBL14945494 0.87 ACACB (0.54) ACACBACACAADORA2B
SCHEMBL22994410 0.87 ACACB (0.48) ACACBACACAP2RX3ADORA2B
SCHEMBL22144398 0.85 ACACB (0.61) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273132-A2 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF Gilead Sciences, Inc. (US) 2023-11-08 EP disclosed
EP-3589636-B1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
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-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-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-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 ACACB 2/4885ACACA 1/4885P2RX3 4770/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885P2RX3 4770/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885P2RX3 4770/4885

“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.