SCHEMBL14945683

SCHEMBL14945683

CCOC(=O)c1sc2c(c1C)c(=O)n(CC=O)c(=O)n2Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
ADORA2B P29275 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 5/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
USP2 O75604 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL14944973 0.89 MEN1 (0.70) MEN1KMT2AACACBACACAADORA2B
SCHEMBL14936749 0.89 KMT2A (0.57) MEN1KMT2AACACBACACAADORA2B
SCHEMBL14945643 0.84 MEN1 (0.54) MEN1KMT2AACACBACACAADORA2B
SCHEMBL14948750 0.81 MEN1 (0.56) MEN1KMT2AACACBACACAADORA2B
SCHEMBL16920281 0.76 KMT2A (0.52) MEN1KMT2AACACBACACAADORA2B
SCHEMBL14936031 0.73 MEN1 (0.66) MEN1KMT2AACACBACACAADORA2B
SCHEMBL29538303 0.72 MEN1 (0.79) MEN1KMT2AACACBACACAADORA2B
SCHEMBL14936206 0.72 MEN1 (0.79) MEN1KMT2AACACBACACAADORA2B
SCHEMBL14945673 0.71 ACACB (0.57) MEN1KMT2AACACBACACAADORA2B
SCHEMBL14944989 0.70 MEN1 (0.70) MEN1KMT2AACACBACACAADORA2B

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 2071/4885ACACB 2/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ACACB 2/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ACACB 2/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ACACB 2/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ACACB 2/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MEN1 4200/4885KMT2A 2071/4885ACACB 2/4885

“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.