SCHEMBL6477400

SCHEMBL6477400

O=C(O)C(Cc1ccc(OCCn2c(=O)oc3ccccc32)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 6/20 0.58
NPSR1 Q6W5P4 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.55
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 2/20 0.52
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL6475653 0.91 L3MBTL1 (0.56) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6476791 0.88 L3MBTL1 (0.58) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6476311 0.87 SIGMAR1 (0.53) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6476905 0.86 TSHR (0.62) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6477277 0.86 PPARG (0.58) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6484141 0.85 RAB9A (0.46) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6475944 0.84 KDM4E (0.43) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6476013 0.79 PPARG (0.56) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6485660 0.79 RAB9A (0.61) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL7019446 0.79 RAB9A (0.61) TSHRRAB9ASMN1; SMN2ALDH1A1NPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP claimed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 US claimed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP claimed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO claimed
US-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US disclosed
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP disclosed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 US disclosed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP disclosed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO 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 TSHR 844/4885RAB9A 3361/4885SMN1; 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.