SCHEMBL643050

SCHEMBL643050

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(CCP(=O)(O)OC(C)CC)c3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.55
PLK1 P53350 1/20 0.49
THRB P10828 1/20 0.46
PARP1 P09874 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 4/20 0.44
S1PR4 O95977 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 2/20 0.44
RARB P10826 1/20 0.43

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
SCHEMBL642998 0.91 NR1H4 (0.56) NR1H4PLK1THRBPARP1TP53
SCHEMBL642660 0.90 LMNA (0.47) NR1H4PLK1MAPTRARB
SCHEMBL641663 0.88 NR1H4 (0.62) NR1H4PLK1THRBPARP1TP53
SCHEMBL641436 0.84 NR1H4 (0.58) NR1H4PLK1THRBTP53MAPT
SCHEMBL643049 0.83 NR1H4 (0.59) NR1H4PLK1THRBPARP1TP53
SCHEMBL643797 0.83 PLK1 (0.53) NR1H4PLK1TP53RARB
SCHEMBL642508 0.82 NR1H4 (0.54) NR1H4PLK1THRBTP53MAPT
SCHEMBL643881 0.81 NR1H4 (0.61) NR1H4PLK1THRBPARP1TP53
SCHEMBL642459 0.79 NR1H4 (0.52) NR1H4PLK1THRBTP53MAPT
SCHEMBL644605 0.78 LMNA (0.51) NR1H4PLK1TP53MAPTRARB

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 NR1H4 984/4885PLK1 1883/4885THRB 3079/4885

“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.