SCHEMBL6486022

SCHEMBL6486022

COC(=O)C(Cc1ccc(OCCn2c(=O)sc3ccccc32)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.67
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 5/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
PPARA Q07869 5/20 0.48
PPARD Q03181 1/20 0.48

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
SCHEMBL6488473 0.93 PPARG (0.75) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6475685 0.90 PPARG (0.73) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6476961 0.86 PPARG (0.60) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6476253 0.85 NPC1 (0.65) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6484845 0.83 RAB9A (0.71) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6476966 0.83 PPARG (0.59) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6477333 0.82 PPARG (0.78) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6476972 0.81 NPC1 (0.63) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5913680 0.81 PPARG (0.79) PPARGSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL5913603 0.80 PPARG (1.00) PPARGSMN1; SMN2NPC1RAB9ALMNA

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-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US disclosed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 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-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same CYP2F1, CYP11B2, CYP4B1 PPARG 414/4885SMN1; SMN2 1823/4885NPC1 1716/4885

“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.