SCHEMBL30782718

SCHEMBL30782718

Cc1cncc(-c2nc3cc(NC(=O)OC(C)(C)C)ccc3o2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.57
▸ ALDH1A1 P00352 8/20 0.52
▸ NPC1 O15118 7/20 0.52
▸ RAB9A P51151 7/20 0.52
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ KDM4E B2RXH2 8/20 0.51
▸ HSD17B10 Q99714 7/20 0.51
▸ HPGD P15428 6/20 0.51
▸ TP53 P04637 4/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ MAPT P10636 5/20 0.51
▸ AGPAT2 O15120 3/20 0.50
▸ USP2 O75604 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 3/20 0.49

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
SCHEMBL27188337 0.86 PPARG (0.63) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29479738 0.85 ALDH1A1 (0.64) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30782727 0.81 MAPT (0.63) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30782726 0.81 MAPT (0.63) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30782729 0.80 PPARG (0.67) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30782717 0.79 PPARG (0.58) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30782724 0.79 MAPT (0.66) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30782723 0.79 MAPT (0.66) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23033325 0.78 ALDH1A1 (0.51) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23033327 0.78 MAPT (0.53) PPARGALDH1A1NPC1RAB9ASMN1; 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-20240109850-A1 Covalent PPARG inverse-agonists BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 — — 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-20240109850-A1 Covalent PPARG inverse-agonists PPARG, PPARD, PPARA PPARG 1/4885ALDH1A1 1224/4885NPC1 1079/4885

“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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