SCHEMBL16295046

SCHEMBL16295046

N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1SC(CO)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.57
▸ ADORA1 P30542 4/20 0.57
▸ ADORA2B P29275 3/20 0.57
▸ KMT2A Q03164 9/20 0.51
▸ ALDH1A1 P00352 7/20 0.47
▸ HPGD P15428 5/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MEN1 O00255 8/20 0.46
▸ POLB P06746 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ USP2 O75604 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ KAT8 Q9H7Z6 1/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ PPP1CA P62136 1/20 0.46
▸ EIF4H Q15056 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ MAPT P10636 4/20 0.45

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
SCHEMBL16294552 0.85 ADORA2A (0.57) ADORA2AADORA1ADORA2BKMT2AALDH1A1
SCHEMBL16295312 0.81 KMT2A (0.55) ADORA2AADORA1KMT2AALDH1A1HPGD
SCHEMBL16294986 0.78 ADORA2A (0.57) ADORA2AADORA1ADORA2BKMT2AALDH1A1
SCHEMBL5320925 0.76 ADORA2A (0.74) ADORA2AADORA1ADORA2BKMT2AALDH1A1
SCHEMBL16295045 0.76 ADORA2A (0.56) ADORA2AADORA1ADORA2BKMT2AALDH1A1
SCHEMBL16295093 0.75 ADORA2A (0.53) ADORA2AADORA1ADORA2BKMT2AALDH1A1
SCHEMBL5325584 0.74 ADORA2A (0.57) ADORA2AADORA1ADORA2BKMT2AALDH1A1
SCHEMBL3581858 0.74 ADORA2A (0.74) ADORA2AADORA1ADORA2BKMT2AALDH1A1
SCHEMBL14596750 0.73 KMT2A (0.67) ADORA2AADORA1KMT2AALDH1A1HPGD
SCHEMBL29682369 0.73 KMT2A (0.58) ADORA2AADORA1KMT2AALDH1A1HPGD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10548313-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2020-02-04 — — US claimed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 — — US claimed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 — — US claimed
WO-2014201326-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2014-12-18 — — WO claimed
US-11375716-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2022-07-05 — — US disclosed
US-11375716-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2022-07-05 — — US disclosed
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2020-07-09 — — US disclosed
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2020-07-09 — — US disclosed
US-10548313-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2020-02-04 — — US disclosed
US-10548313-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2020-02-04 — — US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 — — US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 — — US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 — — US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 — — US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 — — US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 — — US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 — — US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 — — US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 — — US disclosed
WO-2014201326-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2014-12-18 — — WO 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-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 ADORA2A 3836/4885ADORA1 3901/4885ADORA2B 4338/4885
US-11375716-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 ADORA2A 3836/4885ADORA1 3901/4885ADORA2B 4338/4885
US-10548313-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 ADORA2A 3836/4885ADORA1 3901/4885ADORA2B 4338/4885
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 ADORA2A 3836/4885ADORA1 3901/4885ADORA2B 4338/4885
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 ADORA2A 3836/4885ADORA1 3901/4885ADORA2B 4338/4885

“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.

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