SCHEMBL14945516

SCHEMBL14945516

Cc1csc2[nH]c(=O)n(CC(=O)OC(C)(C)C)c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.52
FEN1 P39748 2/20 0.52
ADORA2B P29275 3/20 0.52
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ELANE P08246 1/20 0.38
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
F2 P00734 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7591139 0.85 ERCC5 (0.55) ERCC5FEN1ADORA2BKDM4EALDH1A1
SCHEMBL19924161 0.82 ADORA2B (0.62) ERCC5FEN1ADORA2BKDM4EALDH1A1
SCHEMBL14945131 0.80 ERCC5 (0.55) ERCC5FEN1ADORA2B
SCHEMBL20220589 0.79 QPCT (0.37) ADORA2BKDM4EALDH1A1ELANEADRA1D
SCHEMBL21626624 0.79 ADORA2B (0.46) ERCC5FEN1ADORA2BADRA1DADRA1A
SCHEMBL18097152 0.78 ADORA2B (0.60) ERCC5FEN1ADORA2BALDH1A1ADRA1D
SCHEMBL14945517 0.77 ELANE (0.35) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL14945700 0.77 ERCC1 (0.49) ERCC5FEN1KDM4EALDH1A1ELANE
SCHEMBL14945515 0.76 ALDH1A1 (0.37) ADORA2BKDM4EALDH1A1ELANEADRA1D
SCHEMBL14945670 0.76 ELANE (0.35) KDM4EALDH1A1ELANEJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US 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 (6 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC5 2207/4885FEN1 1343/4885ADORA2B 3395/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC5 2207/4885FEN1 1343/4885ADORA2B 3395/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ERCC5 2207/4885FEN1 1343/4885ADORA2B 3395/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC5 2207/4885FEN1 1343/4885ADORA2B 3395/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC5 2207/4885FEN1 1343/4885ADORA2B 3395/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC5 2207/4885FEN1 1343/4885ADORA2B 3395/4885

“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.