SCHEMBL14945697

SCHEMBL14945697

CC(C)(C)OC(=O)Cn1c(=O)c2ccsc2n(CCc2ccccc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.64
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
FEN1 P39748 2/20 0.46
ERCC1 P07992 1/20 0.46
ERCC5 P28715 1/20 0.46
ERCC4 Q92889 1/20 0.46
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14936530 0.84 ADORA2B (0.67) ADORA2BHDAC8HDAC6HDAC1HDAC11
SCHEMBL14945696 0.83 ADORA2B (0.45) ADORA2BHDAC8HDAC6HDAC1HDAC11
SCHEMBL14945693 0.82 ADORA2B (0.65) ADORA2BFEN1ERCC5ALDH1A1NPSR1
SCHEMBL14945702 0.80 ACACB (0.50) ADORA2BALDH1A1NPSR1MAPTKDM4E
SCHEMBL14944987 0.79 ADORA2B (0.72) ADORA2BHDAC8HDAC6HDAC1HDAC11
SCHEMBL14945694 0.78 ADORA2B (0.54) ADORA2BALDH1A1NPSR1ACACBACACA
SCHEMBL14945688 0.78 ADORA2B (0.69) ADORA2BACACBACACA
SCHEMBL14945687 0.77 ADORA2B (0.58) ADORA2BALDH1A1NPSR1ACACBACACA
SCHEMBL14945689 0.77 ADORA2B (0.70) ADORA2BACACBACACA
SCHEMBL16920287 0.76 ADORA2B (0.52) ADORA2BALDH1A1NPSR1ACACBACACA

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
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
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO 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 ADORA2B 3395/4885HDAC8 959/4885HDAC6 589/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885HDAC8 959/4885HDAC6 589/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ADORA2B 3395/4885HDAC8 959/4885HDAC6 589/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885HDAC8 959/4885HDAC6 589/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885HDAC8 959/4885HDAC6 589/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885HDAC8 959/4885HDAC6 589/4885

“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.