SCHEMBL6486368

SCHEMBL6486368

O=C(O)C(Cc1ccc(OCCCn2c(=O)sc3ccccc32)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
L3MBTL1 Q9Y468 8/20 0.72
SMN1; SMN2 Q16637 8/20 0.72
NPC1 O15118 7/20 0.72
CYP3A4 P08684 3/20 0.72
CYP2D6 P10635 3/20 0.72
CYP2C19 P33261 3/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C9 P11712 2/20 0.72
TDP1 Q9NUW8 3/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 4/20 0.62
MAPK1 P28482 4/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 2/20 0.58
LMNA P02545 2/20 0.58
PPARG P37231 1/20 0.57
ATM Q13315 1/20 0.54
HTT P42858 1/20 0.52
MAPT P10636 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
SCHEMBL6484845 0.94 RAB9A (0.71) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6475901 0.89 L3MBTL1 (0.66) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6475685 0.86 PPARG (0.73) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6476972 0.86 NPC1 (0.63) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6488473 0.84 PPARG (0.75) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6476966 0.83 PPARG (0.59) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6476253 0.83 NPC1 (0.65) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6486575 0.82 PPARG (0.65) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6486442 0.81 RAB9A (0.71) RAB9AL3MBTL1SMN1; SMN2NPC1CYP3A4
SCHEMBL6450149 0.81 PPARG (0.85) RAB9AL3MBTL1SMN1; SMN2NPC1TSHR

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 RAB9A 3361/4885L3MBTL1 4870/4885SMN1; SMN2 1823/4885

“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.