SCHEMBL641663

SCHEMBL641663

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.62
PLK1 P53350 2/20 0.55
THRB P10828 1/20 0.53
S1PR1 P21453 3/20 0.52
S1PR4 O95977 1/20 0.52
S1PR3 Q99500 1/20 0.52
S1PR5 Q9H228 1/20 0.52
PARP1 P09874 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
RARB P10826 3/20 0.49
LMNA P02545 1/20 0.48
STAT3 P40763 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL643049 0.90 NR1H4 (0.59) NR1H4PLK1THRBPARP1TP53
SCHEMBL641557 0.88 LMNA (0.55) NR1H4PLK1S1PR1S1PR4S1PR3
SCHEMBL643050 0.88 NR1H4 (0.55) NR1H4PLK1THRBS1PR1S1PR4
SCHEMBL643881 0.85 NR1H4 (0.61) NR1H4PLK1THRBPARP1TP53
SCHEMBL641662 0.84 NR1H4 (0.67) NR1H4PLK1THRBTP53MAPT
SCHEMBL642997 0.83 NR1H4 (0.61) NR1H4PLK1THRBPARP1TP53
SCHEMBL9165641 0.83 NR1H4 (0.73) NR1H4PLK1THRBPARP1TP53
SCHEMBL9160995 0.82 NR1H4 (0.71) NR1H4PLK1THRBPARP1TP53
SCHEMBL9713170 0.82 NR1H4 (0.65) NR1H4PLK1THRBPARP1TP53
SCHEMBL642998 0.82 NR1H4 (0.56) NR1H4PLK1THRBPARP1TP53

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 8 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-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.