SCHEMBL14945512

SCHEMBL14945512

CCOC(=O)c1sc2[nH]c(=O)n(CC(=O)OC(C)(C)C)c(=O)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.41
RXFP1 Q9HBX9 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
MEN1 O00255 5/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.38
ADORA2B P29275 1/20 0.38
CYP1A2 P05177 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 2/20 0.36

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
SCHEMBL14948736 0.90 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14945627 0.89 KMT2A (0.41) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14945515 0.88 ALDH1A1 (0.37) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14950587 0.85 KMT2A (0.45) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL20220589 0.84 QPCT (0.37) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5032099 0.84 MAPT (0.47) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14945133 0.83 MAPT (0.41) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14945670 0.83 ELANE (0.35) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL16643766 0.83 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EMAPTRXFP1
SCHEMBL14945517 0.82 ELANE (0.35) ALDH1A1KDM4EMAPTRXFP1ACACB

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
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

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 2071/4885ALDH1A1 104/4885KDM4E 2187/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885ALDH1A1 104/4885KDM4E 2187/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 KMT2A 2071/4885ALDH1A1 104/4885KDM4E 2187/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885ALDH1A1 104/4885KDM4E 2187/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885ALDH1A1 104/4885KDM4E 2187/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885ALDH1A1 104/4885KDM4E 2187/4885

“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.