SCHEMBL29327593

SCHEMBL29327593

COc1ccc(-c2nc3cc(NC(=O)c4cc(C#N)ccc4S(C)(=O)=O)ccc3o2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.58
▸ RXFP1 Q9HBX9 3/20 0.58
▸ PPARG P37231 2/20 0.57
▸ MAPT P10636 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ PTGS2 P35354 10/20 0.53
▸ THRB P10828 1/20 0.53
▸ MAPK1 P28482 1/20 0.50
▸ IMPDH2 P12268 1/20 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
SCHEMBL29327696 0.93 TP53 (0.56) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327754 0.88 PPARG (0.56) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327828 0.88 PPARG (0.56) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327633 0.86 PPARG (0.54) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327580 0.85 PPARG (0.62) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327587 0.83 PPARG (0.77) TP53RXFP1PPARGMAPTNPC1
SCHEMBL29327577 0.83 MAPT (0.58) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327588 0.82 PPARG (0.59) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327596 0.81 PPARG (0.57) TP53RXFP1PPARGMAPTKDM4E
SCHEMBL29327603 0.80 PPARG (0.61) TP53RXFP1PPARGMAPTNPC1

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 TP53 1398/4885RXFP1 286/4885PPARG 1/4885

“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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