SCHEMBL2471402

SCHEMBL2471402

CC1(C)OC(=O)c2cc(N(Cc3ccc(C(=O)OCc4ccccc4)cc3)C(=O)CCC3CCCC3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
F2 P00734 8/20 0.38
F10 P00742 7/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STAT3 P40763 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A4 P31645 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL2468565 0.89 LTB4R2 (0.39) F2F10STAT3SLC6A4
SCHEMBL12195114 0.87 MAPT (0.39) MAPTALDH1A1HPGDF2F10
SCHEMBL2472563 0.82 MAPK14 (0.41) ALDH1A1HPGDLMNASMN1; SMN2STAT3
SCHEMBL13711653 0.82 LTB4R2 (0.40) ALDH1A1SMN1; SMN2STAT3SLC6A4NR1H4
SCHEMBL13711728 0.81 STAT3 (0.39) ALDH1A1STAT3SLC6A4
SCHEMBL2857129 0.80 CNR2 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2STAT3
SCHEMBL2858908 0.79 PTPN11 (0.36) ALDH1A1SLC6A4
SCHEMBL2851580 0.78 STAT3 (0.36) ALDH1A1F2F10NPC1RAB9A
SCHEMBL2861742 0.77 SLC6A4 (0.37) ALDH1A1F2F10SLC6A4
SCHEMBL2855293 0.77 FFAR1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 US disclosed
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP disclosed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 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-20060189583-A1 Aryl dicarboxamides GPR119, PTPRS, ECHS1 MAPT 4883/4885ALDH1A1 1704/4885HPGD 2888/4885

“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.