SCHEMBL14945643

SCHEMBL14945643

CCOC(=O)c1sc2c(c1C)c(=O)n(CCO[Si](C)(C)C(C)(C)C)c(=O)n2Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ADORA2B P29275 4/20 0.50
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 5/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL14944973 0.88 MEN1 (0.70) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14945612 0.86 MEN1 (0.60) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14936749 0.85 KMT2A (0.57) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14948697 0.84 MEN1 (0.53) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14945683 0.84 MEN1 (0.54) MEN1KMT2AADORA2BACACBACACA
SCHEMBL20220633 0.82 MEN1 (0.55) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14945640 0.81 ADORA2B (0.64) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14945650 0.81 ADORA2B (0.76) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14948724 0.80 MEN1 (0.49) MEN1KMT2AADORA2BACACBACACA
SCHEMBL14945616 0.80 ADORA2B (0.62) MEN1KMT2AADORA2BACACBACACA

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 15 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
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 MEN1 4200/4885KMT2A 2071/4885ADORA2B 3395/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ADORA2B 3395/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ADORA2B 3395/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ADORA2B 3395/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ADORA2B 3395/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ADORA2B 3395/4885

“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.