SCHEMBL14936764

SCHEMBL14936764

CCOC(=O)c1sc2c(c1C)c(=O)n(CC(=O)O)c(=O)n2Cc1ccc2ccn(C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51
ADORA2B P29275 2/20 0.50
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4A P27815 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
SCHEMBL29453891 1.00 KMT2A (0.59) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14944989 0.91 MEN1 (0.70) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14948750 0.89 MEN1 (0.56) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14945681 0.86 KMT2A (0.45) KMT2AMEN1LMNAPOLBTP53
SCHEMBL14948697 0.85 MEN1 (0.53) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL18135180 0.82 KMT2A (0.51) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14936419 0.81 KMT2A (0.56) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14936749 0.80 KMT2A (0.57) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL20220501 0.79 ACACB (0.72) KMT2AMEN1ACACBACACAADORA2B
SCHEMBL14944982 0.78 ACACB (0.71) KMT2AMEN1ACACBACACAADORA2B

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 30 patents — showing the first 20. 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
EP-3628320-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2020-04-01 EP disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 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
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
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-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-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
EP-2776038-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo Inc. (US) 2014-09-17 EP 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
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 (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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885ACACB 2/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885ACACB 2/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885ACACB 2/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885ACACB 2/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 2071/4885MEN1 4200/4885ACACB 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.