SCHEMBL30782720

SCHEMBL30782720

CCc1ccc(-c2nc3cc(NC(=O)OC(C)(C)C)ccc3n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.56
▸ PTGES O14684 1/20 0.51
▸ CYP17A1 P05093 1/20 0.47
▸ ACSS2 Q9NR19 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AGPAT2 O15120 3/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ IDH1 O75874 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ BRAF P15056 1/20 0.42

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
SCHEMBL30782719 0.92 PPARG (0.56) PPARGPTGESCYP17A1ACSS2MAPK14
SCHEMBL27188313 0.87 PPARG (0.63) PPARGPTGESKDM4EMAPTRAB9A
SCHEMBL21017931 0.82 KDM4E (0.44) PPARGPTGESKDM4EAGPAT2MAPT
SCHEMBL12393054 0.80 BRD4 (0.57) CYP17A1ACSS2KDM4EMAPTRAB9A
SCHEMBL21018167 0.79 KDM4E (0.41) PPARGPTGESACSS2KDM4EAGPAT2
SCHEMBL27188360 0.78 PPARG (0.63) PPARGPTGESRAB9ANPC1HDAC1
SCHEMBL30782729 0.76 PPARG (0.67) PPARGKDM4EMAPTRAB9APOLB
SCHEMBL16329523 0.76 CHEK2 (0.50) CYP17A1ACSS2BRD4HDAC1HDAC8
SCHEMBL10361607 0.75 CYP17A1 (0.61) PPARGCYP17A1MAPK14RAB9ALMNA
SCHEMBL21017912 0.73 ACSS2 (0.43) PPARGPTGESACSS2KDM4EAGPAT2

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 1/4885PTGES 182/4885CYP17A1 414/4885

“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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