SCHEMBL643453

SCHEMBL643453

CCCCCCCCOc1ccc(-c2ccc(C(=O)ON(C(=O)c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(C(F)(F)P(=O)(O)OC(C)CC)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
PPARG P37231 3/20 0.38
PPARA Q07869 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.36
SPHK1 Q9NYA1 3/20 0.36
PLA2G4B P0C869 1/20 0.36

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
SCHEMBL641512 0.92 RARB (0.40) RARBPPARGPPARAHRH3TSHR
SCHEMBL643775 0.88 MCHR1 (0.45) RARBPPARGPPARAHRH3TSHR
SCHEMBL641470 0.88 RARB (0.47) RARBTSHRTP53PLA2G4B
SCHEMBL643452 0.84 RARB (0.44) RARBPPARGPPARATSHRTP53
SCHEMBL641397 0.82 MCHR1 (0.48) RARBPPARGPPARATSHRTP53
SCHEMBL641374 0.81 RARB (0.41) RARBPPARGPPARAHRH3TSHR
SCHEMBL641511 0.79 RARB (0.43) RARBPPARGPPARAHRH3TSHR
SCHEMBL642400 0.78 RARB (0.43) RARBPPARGPPARAHRH3TSHR
SCHEMBL642508 0.77 NR1H4 (0.54) TP53
SCHEMBL643865 0.77 RARB (0.42) RARBPPARGPPARAHRH3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP claimed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US claimed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US claimed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP claimed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO claimed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 RARB 4739/4885PPARG 4415/4885PPARA 4333/4885

“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.