SCHEMBL27188313

SCHEMBL27188313

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.63
▸ PTGES O14684 1/20 0.52
▸ RAB9A P51151 8/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPC1 O15118 6/20 0.49
▸ PTGDR2 Q9Y5Y4 2/20 0.48
▸ MAPT P10636 4/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CA12 O43570 1/20 0.45

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
SCHEMBL27188360 0.90 PPARG (0.63) PPARGPTGESRAB9AHDAC1HDAC8
SCHEMBL30782720 0.87 PPARG (0.56) PPARGPTGESRAB9AHDAC1HDAC8
SCHEMBL27188276 0.79 PPARG (1.00) PPARGPTGESSMN1; SMN2
SCHEMBL29327658 0.78 PPARG (0.52) PPARGPTGESRAB9AHDAC1HDAC8
SCHEMBL30782719 0.78 PPARG (0.56) PPARGPTGESRAB9ANPC1PTGDR2
SCHEMBL29327609 0.78 PPARG (0.55) PPARGPTGESRAB9ACYP1A2CYP2C19
SCHEMBL27188343 0.78 NPC1 (0.53) PPARGRAB9AHDAC1HDAC8HDAC6
SCHEMBL27188330 0.78 KDM4E (0.57) PPARGRAB9AHDAC1HDAC8HDAC6
SCHEMBL31721000 0.78 NAMPT (0.67) RAB9AHDAC1HDAC8HDAC6NPC1
SCHEMBL26603187 0.78 NAMPT (0.67) RAB9AHDAC1HDAC8HDAC6NPC1

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 182/4885RAB9A 1805/4885

“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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