SCHEMBL14945700

SCHEMBL14945700

CC(C)(C)OC(=O)Cn1c(=O)[nH]c2sccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
ADRA1B P35368 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ELANE P08246 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
TNKS2 Q9H2K2 6/20 0.38
PARP15 Q460N3 5/20 0.38
PARP10 Q53GL7 4/20 0.38
PARP2 Q9UGN5 4/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP14 Q460N5 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
SCHEMBL3311829 0.77 CYP1A2 (0.57) ERCC1ERCC5FEN1ERCC4KDM4E
SCHEMBL17691200 0.77 KDM4E (0.41) ELANEKDM4EALDH1A1JAK2JAK1
SCHEMBL14945516 0.77 ERCC5 (0.52) ERCC5FEN1ADRA1BADRA1DADRA1A
SCHEMBL2759479 0.75 ERCC1 (0.58) ERCC1ERCC5FEN1ERCC4ADRA1B
SCHEMBL3310952 0.73 KDM4E (0.43) FEN1ADRA1BELANEKDM4EALDH1A1
SCHEMBL20220589 0.72 QPCT (0.37) ADRA1BADRA1DADRA1AELANEKDM4E
SCHEMBL2731981 0.72 ERCC5 (0.58) ERCC1ERCC5FEN1ERCC4ADRA1B
SCHEMBL17691216 0.72 KDM4E (0.36) ELANEKDM4EALDH1A1JAK2JAK1
SCHEMBL14945517 0.71 ELANE (0.35) ELANEKDM4EALDH1A1JAK2JAK1
SCHEMBL14945697 0.71 ADORA2B (0.64) ERCC1ERCC5FEN1ERCC4KDM4E

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 ERCC1 2496/4885ERCC5 2207/4885FEN1 1343/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC1 2496/4885ERCC5 2207/4885FEN1 1343/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ERCC1 2496/4885ERCC5 2207/4885FEN1 1343/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC1 2496/4885ERCC5 2207/4885FEN1 1343/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC1 2496/4885ERCC5 2207/4885FEN1 1343/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ERCC1 2496/4885ERCC5 2207/4885FEN1 1343/4885

“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.