SCHEMBL29327781

SCHEMBL29327781

CCc1ccc(-c2nc3cc(NC(=O)c4cc(C#N)ncc4S(C)(=O)=O)ccc3n2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.54
▸ PTGES O14684 2/20 0.48
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PRSS12 P56730 3/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ALOX5AP P20292 3/20 0.37
▸ AGPAT2 O15120 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BRAF P15056 1/20 0.36

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
SCHEMBL29327775 0.94 PPARG (0.54) PPARGPTGESRAB9ANPC1TP53
SCHEMBL29327609 0.87 PPARG (0.55) PPARGPTGESRAB9ANPC1TP53
SCHEMBL29327658 0.86 PPARG (0.52) PPARGPTGESRAB9ANPC1TP53
SCHEMBL29327855 0.84 PPARG (0.54) PPARGPTGESRAB9ANPC1TP53
SCHEMBL29327978 0.82 HDAC6 (0.47) PPARGRAB9ANPC1TP53THRB
SCHEMBL29327747 0.81 PPARG (0.62) PPARGRAB9ANPC1TP53THRB
SCHEMBL29327718 0.81 PPARG (0.53) PPARGPTGESRAB9ANPC1TP53
SCHEMBL29327980 0.80 MAPT (0.53) PPARGPTGESRAB9ANPC1TP53
SCHEMBL29327607 0.80 PPARG (0.55) PPARGPTGESRAB9ANPC1TP53
SCHEMBL29327967 0.80 NPC1 (0.40) PPARGRAB9ANPC1TP53THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2024-07-18 — — US disclosed
US-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2024-07-18 — — 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-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD PPARG 1/4885PTGES 139/4885RAB9A 2379/4885

“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.

Send feedback