SCHEMBL641436

SCHEMBL641436

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.58
THRB P10828 1/20 0.49
PLK1 P53350 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 1/20 0.47
MCHR1 Q99705 1/20 0.46
RARB P10826 3/20 0.46

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
SCHEMBL644605 0.91 LMNA (0.51) NR1H4PLK1MAPTKDM4ERAB9A
SCHEMBL641917 0.87 NR1H4 (0.62) NR1H4THRBPLK1MEN1MAPT
SCHEMBL641662 0.86 NR1H4 (0.67) NR1H4THRBPLK1MEN1MAPT
SCHEMBL642998 0.86 NR1H4 (0.56) NR1H4THRBPLK1MAPTTP53
SCHEMBL643050 0.84 NR1H4 (0.55) NR1H4THRBPLK1MAPTTP53
SCHEMBL642459 0.84 NR1H4 (0.52) NR1H4THRBPLK1MEN1MAPT
SCHEMBL642508 0.84 NR1H4 (0.54) NR1H4THRBPLK1MAPTSMN1; SMN2
SCHEMBL641423 0.83 NR1H4 (0.71) NR1H4THRBPLK1MEN1MAPT
SCHEMBL641435 0.82 NR1H4 (0.64) NR1H4THRBPLK1MEN1MAPT
SCHEMBL643822 0.81 PLK1 (0.57) NR1H4PLK1MEN1MAPTKMT2A

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 984/4885THRB 3079/4885PLK1 1883/4885

“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.