SCHEMBL14945677

SCHEMBL14945677

CCOC(=O)c1sc2c(c1C)c(=O)n(CC(=O)OC(C)(C)C)c(=O)n2Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
ADORA2B P29275 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 3/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 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
SCHEMBL18135180 0.94 KMT2A (0.51) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14948724 0.87 MEN1 (0.49) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL20220585 0.83 KMT2A (0.51) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14948733 0.76 ACACB (0.61) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14944951 0.76 ACACB (0.74) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14945646 0.76 ADORA2B (0.36) KMT2AMEN1ADORA2BLMNATP53
SCHEMBL14936764 0.75 KMT2A (0.59) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL29453891 0.75 KMT2A (0.59) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14945709 0.75 MEN1 (0.55) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14950597 0.74 KMT2A (0.48) KMT2AMEN1ACACBACACAADORA2B

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 10 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-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
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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

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 KMT2A 2071/4885MEN1 4200/4885ACACB 2/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885ACACB 2/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885ACACB 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.