Sugi Predict

Sugi Predict / Compounds / SCHEMBL14948733

SCHEMBL14948733

SCHEMBL14948733

CCOC(=O)c1sc2c(c1C)c(=O)n(CC(=O)OC(C)(C)C)c(=O)n2CCc1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.61
▸ ACACA Q13085 1/20 0.61
▸ ADORA2B P29275 13/20 0.59
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL14944951 0.91 ACACB (0.74) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936377 0.88 ACACB (0.69) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14945668 0.87 ADORA2B (0.47) ACACBACACAADORA2BLMNAALDH1A1
SCHEMBL14950640 0.86 ACACB (0.56) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14945686 0.85 ADORA2B (0.66) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14945655 0.84 ACACB (0.56) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14945690 0.84 ACACB (0.68) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14945634 0.83 ACACB (0.75) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14935866 0.83 ACACB (0.61) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14948734 0.83 ACACB (0.57) ACACBACACAADORA2BMEN1KMT2A

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 9 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
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-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
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 ACACB 2/4885ACACA 1/4885ADORA2B 3395/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885ADORA2B 3395/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885ADORA2B 3395/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885ADORA2B 3395/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885ADORA2B 3395/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885ADORA2B 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.