SCHEMBL21783134

SCHEMBL21783134

CCOC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2OC)C1=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.64
▸ ALDH1A1 P00352 5/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HPGD P15428 1/20 0.59
▸ CTNNB1 P35222 1/20 0.57
▸ TCF7L2 Q9NQB0 1/20 0.57
▸ BAG3 O95817 1/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ITGB2 P05107 1/20 0.54
▸ ITGAM P11215 1/20 0.54
▸ SLC1A3 P43003 1/20 0.53

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
SCHEMBL20534482 1.00 PPARG (0.64) PPARGALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL20534483 1.00 PPARG (0.64) PPARGALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL21783128 0.90 PPARG (0.67) PPARGALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL21783124 0.87 CTNNB1 (0.67) ALDH1A1KMT2ACTNNB1TCF7L2
SCHEMBL20534506 0.87 CTNNB1 (0.67) ALDH1A1KMT2ACTNNB1TCF7L2
SCHEMBL21783130 0.81 AKR1B1 (0.72) PPARGALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL21783163 0.81 PPARG (0.70) PPARGALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL20534277 0.80 ALDH1A1 (0.76) PPARGALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL20534278 0.80 ALDH1A1 (0.76) PPARGALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL21783127 0.79 PPARG (0.81) PPARGALDH1A1KMT2AMEN1SMN1; SMN2

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 1 patent. 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

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 PPARG 3668/4885ALDH1A1 461/4885KMT2A 108/4885

“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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