SCHEMBL29327942

SCHEMBL29327942

CCc1ccc(-c2cc3cc(NC(=O)c4nc(C#N)ccc4S(C)(=O)=O)ccn3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.37
▸ ATR Q13535 4/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL29327968 0.84 NPC1 (0.37) TP53ATRMEN1KMT2ANPC1
SCHEMBL29327874 0.84 PPARG (0.44) TP53MEN1KMT2ANPC1ALDH1A1
SCHEMBL29327944 0.80 ATR (0.40) ATRMEN1KMT2ANPC1ALDH1A1
SCHEMBL29327941 0.80 ATR (0.40) ATRMEN1KMT2ANPC1ALDH1A1
SCHEMBL29327904 0.78 TP53 (0.43) TP53MEN1KMT2ANPC1ALDH1A1
SCHEMBL29327949 0.78 HDAC6 (0.48) TP53NPC1ALDH1A1PPARGMAPT
SCHEMBL29327990 0.78 PPARG (0.39) TP53ATRMEN1KMT2ANPC1
SCHEMBL29327947 0.77 PDE10A (0.40) TP53PPARGRXFP1MAPT
SCHEMBL29327658 0.77 PPARG (0.52) TP53NPC1PPARGTHRBMAPT
SCHEMBL29327654 0.77 PPARG (0.52) TP53NPC1PPARGTHRBRAB9A

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 1398/4885ATR 4391/4885MEN1 4630/4885

“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