SCHEMBL14945705

SCHEMBL14945705

Cc1csc2[nH]c(=O)n(CCO[Si](C)(C)C(C)(C)C)c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.56
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
DUT P33316 2/20 0.41
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2C P18825 2/20 0.34
BUB1 O43683 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 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
SCHEMBL18096935 0.81 ADORA2B (0.64) ADORA2BERCC5FEN1ADRA1DADRA1A
SCHEMBL18096849 0.79 ADORA2B (0.62) ADORA2BERCC5FEN1ADRA1DADRA1A
SCHEMBL14945576 0.79 ERCC5 (0.47) ADORA2BERCC5FEN1DUT
SCHEMBL14945647 0.77 DUT (0.37) ADORA2BDUTRXFP1
SCHEMBL5133761 0.77 ADORA2B (0.69) ADORA2BERCC5FEN1ADRA1DADRA1A
SCHEMBL18097152 0.76 ADORA2B (0.60) ADORA2BERCC5FEN1ADRA1DADRA1A
SCHEMBL2774758 0.74 ALDH1A1 (0.46) DUTADRA1AADRA1BALDH1A1HTT
SCHEMBL18096898 0.74 ADORA2B (0.55) ADORA2BERCC5FEN1ADRA1DADRA1A
SCHEMBL5132721 0.74 ADORA2B (0.64) ADORA2BERCC5FEN1ADRA1DADRA1A
SCHEMBL18097831 0.74 ADORA2B (0.57) ADORA2BERCC5FEN1ADRA1DADRA1A

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
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-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 (5 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 ADORA2B 3395/4885ERCC5 2207/4885FEN1 1343/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ADORA2B 3395/4885ERCC5 2207/4885FEN1 1343/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885ERCC5 2207/4885FEN1 1343/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885ERCC5 2207/4885FEN1 1343/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885ERCC5 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.