SCHEMBL9011343

SCHEMBL9011343

O=C(O)CN1C(=O)S/C(=C\c2ccccc2)C1=O

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.84
CA9 Q16790 2/20 0.77
MAPT P10636 1/20 0.74
PTPN1 P18031 1/20 0.68

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
SCHEMBL9011346 1.00 AKR1B1 (0.84) AKR1B1CA9MAPTPTPN1
SCHEMBL1421348 0.92 AKR1B1 (1.00) AKR1B1CA9MAPTPTPN1
SCHEMBL1421349 0.92 AKR1B1 (1.00) AKR1B1CA9MAPTPTPN1
SCHEMBL1421345 0.92 AKR1B1 (1.00) AKR1B1CA9MAPTPTPN1
SCHEMBL20534605 0.88 AKR1B1 (1.00) AKR1B1CA9MAPT
SCHEMBL20534606 0.88 AKR1B1 (1.00) AKR1B1CA9MAPT
SCHEMBL8189457 0.88 AKR1B1 (0.75) AKR1B1CA9MAPTPTPN1
SCHEMBL8189455 0.88 AKR1B1 (0.75) AKR1B1CA9MAPTPTPN1
SCHEMBL20534471 0.87 CA9 (1.00) AKR1B1CA9
SCHEMBL20534488 0.87 AKR1B1 (0.78) AKR1B1CA9MAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8109174-A None JP disclosed
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 US disclosed
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
JP-H08109174-A THIAZOLIDIN-2-ONE DERIVATIVE TORII YAKUHIN KK 1996-04-30 JP 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 AKR1B1 225/4885CA9 2233/4885MAPT 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.