SCHEMBL29327978

SCHEMBL29327978

CCc1ccc(-c2nc3cc(NC(=O)c4cc(C#N)ncc4S(C)(=O)=O)ccc3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ PPARG P37231 1/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL29327980 0.93 MAPT (0.53) HDAC6MAPTTP53PPARGNPC1
SCHEMBL29327883 0.86 PPARG (0.52) HDAC6MAPTTP53PPARGSENP7
SCHEMBL29327949 0.85 HDAC6 (0.48) HDAC6MAPTTP53PPARGSENP7
SCHEMBL29327997 0.83 HDAC6 (0.47) HDAC6MAPTTP53PPARGSENP7
SCHEMBL29327967 0.83 NPC1 (0.40) TP53PPARGNPC1ALDH1A1SMN1; SMN2
SCHEMBL29327971 0.83 NPC1 (0.40) MAPTTP53PPARGNPC1ALDH1A1
SCHEMBL29327747 0.83 PPARG (0.62) MAPTTP53PPARGSENP7CASP3
SCHEMBL29327781 0.82 PPARG (0.54) MAPTTP53PPARGNPC1ALDH1A1
SCHEMBL29327769 0.81 PPARG (0.54) MAPTTP53PPARGSENP7CASP3
SCHEMBL29327889 0.80 MAPT (0.56) HDAC6MAPTTP53PPARGNPC1

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 HDAC6 1654/4885MAPT 4591/4885TP53 1398/4885

“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