SCHEMBL29327980

SCHEMBL29327980

CCc1ccc(-c2nc3ccc(NC(=O)c4cc(C#N)ncc4S(C)(=O)=O)cc3s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ TP53 P04637 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PTGES O14684 1/20 0.42
▸ RORC P51449 3/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ APP P05067 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SULT1A1 P50225 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL29327978 0.93 HDAC6 (0.47) MAPTTP53SMN1; SMN2RORCNPC1
SCHEMBL29327889 0.86 MAPT (0.56) MAPTTP53SMN1; SMN2RORCNPC1
SCHEMBL29327950 0.85 MAPT (0.50) MAPTTP53SMN1; SMN2RORCNPC1
SCHEMBL29328000 0.83 MAPT (0.49) MAPTTP53SMN1; SMN2PTGESRORC
SCHEMBL29327769 0.83 PPARG (0.54) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL29327775 0.82 PPARG (0.54) MAPTTP53SMN1; SMN2PTGESRORC
SCHEMBL29327967 0.81 NPC1 (0.40) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29327971 0.81 NPC1 (0.40) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL29327747 0.81 PPARG (0.62) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL29327781 0.80 PPARG (0.54) MAPTTP53PTGESNPC1RAB9A

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 MAPT 4591/4885TP53 1398/4885SMN1; SMN2 3738/4885

“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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