SCHEMBL20534413

SCHEMBL20534413

O=C(O)CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 8/20 1.00
▸ PTPN1 P18031 5/20 0.80
▸ MMP3 P08254 1/20 0.80
▸ MMP13 P45452 1/20 0.80
▸ ENPP2 Q13822 2/20 0.77
▸ PTPRF P10586 1/20 0.72
▸ PTPN2 P17706 1/20 0.72
▸ PTPRB P23467 1/20 0.72
▸ ACP1 P24666 1/20 0.72
▸ CA9 Q16790 1/20 0.69
▸ AMY1A P0DUB6 1/20 0.68
▸ DPP4 P27487 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
SCHEMBL20534415 1.00 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13ENPP2
SCHEMBL20534504 0.90 CA9 (0.83) AKR1B1PTPN1MMP3MMP13ENPP2
SCHEMBL20534505 0.90 CA9 (0.83) AKR1B1PTPN1MMP3MMP13ENPP2
SCHEMBL1060503 0.89 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13
SCHEMBL19736228 0.89 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13
SCHEMBL17319262 0.89 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13
SCHEMBL14564276 0.87 ENPP2 (1.00) AKR1B1PTPN1MMP3MMP13ENPP2
SCHEMBL5218032 0.86 AKR1B1 (0.89) AKR1B1PTPN1ENPP2
SCHEMBL5218036 0.86 AKR1B1 (0.89) AKR1B1PTPN1ENPP2
SCHEMBL17029272 0.85 ENPP2 (0.79) AKR1B1PTPN1MMP3MMP13ENPP2

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
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
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 AKR1B1 225/4885PTPN1 3470/4885MMP3 3600/4885

“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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