SCHEMBL641691

SCHEMBL641691

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3P(=O)(O)OCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.61
RARB P10826 3/20 0.51
ACAT1 P24752 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
STAT3 P40763 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL643821 0.91 PLK1 (0.62) PLK1RARBACAT1NR1H4SMN1; SMN2
SCHEMBL643102 0.89 PLK1 (0.65) PLK1RARBACAT1NR1H4SMN1; SMN2
SCHEMBL643822 0.86 PLK1 (0.57) PLK1RARBACAT1NR1H4RAB9A
SCHEMBL642216 0.83 PLK1 (0.60) PLK1RARBACAT1NR1H4SMN1; SMN2
SCHEMBL643756 0.82 PLK1 (0.57) PLK1RARBACAT1NR1H4SMN1; SMN2
SCHEMBL642937 0.81 PLK1 (0.63) PLK1RARBACAT1NR1H4SMN1; SMN2
SCHEMBL644422 0.81 PLK1 (0.63) PLK1RARBACAT1NR1H4SMN1; SMN2
SCHEMBL643560 0.81 SMN1; SMN2 (0.58) PLK1RARBNR1H4SMN1; SMN2LMNA
SCHEMBL641799 0.81 PLK1 (0.58) PLK1RARBACAT1NR1H4SMN1; SMN2
SCHEMBL643796 0.81 PLK1 (0.58) PLK1RARBACAT1NR1H4SMN1; SMN2

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 PLK1 1883/4885RARB 4739/4885ACAT1 235/4885

“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.