SCHEMBL21783159

SCHEMBL21783159

CCOC(=O)CCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.76
▸ MAPK1 P28482 3/20 0.65
▸ MCHR1 Q99705 1/20 0.64
▸ CA9 Q16790 1/20 0.64
▸ MITF O75030 1/20 0.58
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ NCOA3 Q9Y6Q9 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL21783150 0.93 PPARG (0.79) PPARGMAPK1CA9MAOAMAOB
SCHEMBL20534442 0.88 CA9 (0.74) PPARGMAPK1CA9MITFMAPT
SCHEMBL20534542 0.88 CA9 (0.74) PPARGMAPK1CA9MITFMAPT
SCHEMBL21783143 0.86 PPARG (1.00) PPARGMAPK1CA9ALDH1A1SMN1; SMN2
SCHEMBL22092306 0.86 PPARG (1.00) PPARGMAPK1CA9ALDH1A1SMN1; SMN2
SCHEMBL20534421 0.83 MAPT (0.79) PPARGMAPK1CA9MITFMAPT
SCHEMBL20534423 0.83 MAPT (0.79) PPARGMAPK1CA9MITFMAPT
SCHEMBL2173013 0.81 BAG3 (0.63) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2173010 0.81 BAG3 (0.63) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2172198 0.79 SLC2A1 (0.64) PPARGMAPTALDH1A1LMNASMN1; 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 3668/4885MAPK1 463/4885MCHR1 2551/4885

“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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