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Sugi Predict / Compounds / SCHEMBL14944980

SCHEMBL14944980

SCHEMBL14944980

CCOC(=O)c1sc2c(c1C)c(=O)n(CCO)c(=O)n2CCc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.69
▸ ACACA Q13085 1/20 0.69
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ ADORA2B P29275 12/20 0.57
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HTT P42858 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
SCHEMBL14944943 0.82 ACACB (1.00) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14936008 0.81 MEN1 (0.73) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14944976 0.81 ACACB (0.71) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14935935 0.80 ACACB (0.82) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14944960 0.80 ACACB (0.82) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14935846 0.80 ACACB (0.76) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14944963 0.80 ACACB (0.79) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14944964 0.79 ACACB (0.75) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL29538711 0.79 ACACB (0.76) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL29538170 0.79 ACACB (0.76) ACACBACACAMEN1KMT2AADORA2B

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 13 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-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
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 1/4885MEN1 4200/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885MEN1 4200/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885MEN1 4200/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885MEN1 4200/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885MEN1 4200/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885MEN1 4200/4885

“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.