SCHEMBL14945618

SCHEMBL14945618

CCOC(=O)c1sc2[nH]c(=O)n(CCCO[Si](C)(C)C(C)(C)C)c(=O)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
DUT P33316 1/20 0.40
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
ADORA2B P29275 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
GAA P10253 4/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE4A P27815 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
SCHEMBL14945639 0.97 KMT2A (0.40) KMT2AMEN1DUTMAPTRXFP1
SCHEMBL14945614 0.94 ADORA2B (0.42) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14948748 0.84 KMT2A (0.41) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945665 0.83 MAPT (0.41) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945662 0.81 MAPT (0.39) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945613 0.80 KMT2A (0.55) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14948696 0.79 ADORA2B (0.43) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL5032099 0.79 MAPT (0.47) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945627 0.78 KMT2A (0.41) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945647 0.77 DUT (0.37) DUTRXFP1ADORA2B

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 KMT2A 2071/4885MEN1 4200/4885DUT 619/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885DUT 619/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885DUT 619/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885DUT 619/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885DUT 619/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885DUT 619/4885

“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.