SCHEMBL20534542

SCHEMBL20534542

COc1ccc(C=C2SC(=O)N(CCCC(=O)O)C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.74
▸ MAPK1 P28482 1/20 0.69
▸ MAPT P10636 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ NCOA3 Q9Y6Q9 1/20 0.69
▸ MITF O75030 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ CTNNB1 P35222 2/20 0.60
▸ TCF4 P15884 1/20 0.60
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ FFAR1 O14842 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL20534442 1.00 CA9 (0.74) CA9MAPK1MAPTALDH1A1NCOA3
SCHEMBL20534423 0.93 MAPT (0.79) CA9MAPK1MAPTALDH1A1NCOA3
SCHEMBL20534421 0.93 MAPT (0.79) CA9MAPK1MAPTALDH1A1NCOA3
SCHEMBL12008788 0.89 MAPT (0.87) MAPK1MAPTALDH1A1NCOA3MITF
SCHEMBL21783159 0.88 PPARG (0.76) CA9MAPK1MAPTALDH1A1NCOA3
SCHEMBL8188771 0.85 CA9 (1.00) CA9PPARG
SCHEMBL8188774 0.85 CA9 (1.00) CA9PPARG
SCHEMBL13446896 0.85 MMP1 (0.73) CA9MAPTALDH1A1MITFNPC1
SCHEMBL31376923 0.85 MYC (0.68) CA9MAPTALDH1A1MITFCTNNB1
SCHEMBL21783150 0.83 PPARG (0.79) CA9MAPK1MAPTALDH1A1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 — — US disclosed
EP-3609494-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY La Trobe University (AU) 2020-02-19 — — EP disclosed
CN-110621315-A Heterocyclic inhibitors of lysine biosynthesis via the diaminopimelic acid pathway 拉筹伯大学 2019-12-27 — — CN disclosed
WO-2018187845-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2018-10-18 — — 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 (1 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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY DDC, ODC1, DDT CA9 2233/4885MAPK1 463/4885MAPT 3729/4885

“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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