SCHEMBL8188774

SCHEMBL8188774

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 1.00
PPARG P37231 1/20 0.76
AKR1B1 P15121 6/20 0.76

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
SCHEMBL8188771 1.00 CA9 (1.00) CA9PPARGAKR1B1
SCHEMBL20534504 0.91 CA9 (0.83) CA9PPARGAKR1B1
SCHEMBL20534505 0.91 CA9 (0.83) CA9PPARGAKR1B1
SCHEMBL20534439 0.89 CA9 (0.80) CA9PPARGAKR1B1
SCHEMBL20534426 0.89 CA9 (0.80) CA9PPARGAKR1B1
SCHEMBL20534421 0.88 MAPT (0.79) CA9PPARGAKR1B1
SCHEMBL20534423 0.88 MAPT (0.79) CA9PPARGAKR1B1
SCHEMBL20534340 0.88 MAPT (0.79) CA9AKR1B1
SCHEMBL15817052 0.88 CA9 (0.78) CA9PPARGAKR1B1
SCHEMBL15817056 0.88 CA9 (0.78) CA9PPARGAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020122766-A1 HYBRID AMIDES EXHIBITING ANTI-MICROBIAL ACTIVITY ЛЕВШИН, Игорь Борисович 2020-06-18 WO 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
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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 2233/4885PPARG 3668/4885AKR1B1 225/4885

“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.