SCHEMBL6428294

SCHEMBL6428294

COc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)c1sc(-c2cccnc2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
PPARA Q07869 8/20 0.41
PPARG P37231 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL5034523 0.94 HPGD (0.46) PPARAPPARGMAPTALDH1A1NPC1
SCHEMBL5031926 0.90 PPARA (0.44) PPARAPPARGMAPTNPC1HPGD
SCHEMBL5034527 0.88 PPARA (0.47) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL5037102 0.84 CYP1A2 (0.45) CYP1A2CYP3A4PPARAMEN1KMT2A
SCHEMBL6427465 0.83 PPARA (0.39) PPARAPPARGMAPTALDH1A1HPGD
SCHEMBL5034516 0.81 PPARA (0.46) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL5031873 0.78 POLB (0.53) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL5037183 0.77 NPC1 (0.45) PPARAPPARGMAPTALDH1A1NPC1
SCHEMBL5031956 0.76 PPARA (0.49) PPARAPPARGMAPTNPC1HPGD
SCHEMBL5032982 0.76 PPARA (0.49) PPARAPPARGNPC1HPGD

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-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD CYP1A2 493/4885CYP3A4 1017/4885PPARA 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.