SCHEMBL30782726

SCHEMBL30782726

CC(C)(C)OC(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.63
▸ TP53 P04637 4/20 0.60
▸ THRB P10828 1/20 0.60
▸ LMNA P02545 2/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ PPARG P37231 1/20 0.56
▸ P2RY14 Q15391 4/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.54
▸ BLM P54132 1/20 0.54
▸ AGPAT2 O15120 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CASP3 P42574 2/20 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
SCHEMBL30782727 1.00 MAPT (0.63) MAPTTP53THRBLMNAPTGS2
SCHEMBL27188311 0.83 TP53 (0.68) MAPTTP53THRBLMNAPTGS2
SCHEMBL29479738 0.83 ALDH1A1 (0.64) MAPTTP53THRBLMNAPPARG
SCHEMBL2243066 0.82 CASP3 (0.74) MAPTTP53THRBLMNAPTGS2
SCHEMBL30782718 0.81 PPARG (0.57) MAPTTP53THRBPPARGRXFP1
SCHEMBL23033325 0.80 ALDH1A1 (0.51) MAPTTP53THRBLMNAPTGS2
SCHEMBL3191910 0.80 MAPT (0.61) MAPTTP53THRBLMNAPTGS2
SCHEMBL30782729 0.80 PPARG (0.67) MAPTTP53PPARGRXFP1NPC1
SCHEMBL2245196 0.80 KDM4E (0.71) MAPTTP53THRBLMNAP2RY14
SCHEMBL23033327 0.80 MAPT (0.53) MAPTTP53THRBPTGS2PPARG

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 MAPT 4826/4885TP53 478/4885THRB 78/4885

“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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