SCHEMBL643023

SCHEMBL643023

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(O)OCOC(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.52
ELANE P08246 2/20 0.45
PRTN3 P24158 2/20 0.45
RARB P10826 3/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
ACAT1 P24752 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL644422 0.84 PLK1 (0.63) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL642937 0.84 PLK1 (0.63) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL26671988 0.83 PLK1 (0.52) PLK1ACAT1NR1H4BCHEACHE
SCHEMBL642216 0.82 PLK1 (0.60) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL642217 0.81 PLK1 (0.55) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL26671910 0.81 PLK1 (0.67) PLK1ACAT1NR1H4MAPTBCHE
SCHEMBL641466 0.81 PLK1 (0.57) PLK1RARBSUCNR1NR1H4MAPT
SCHEMBL641653 0.79 PLK1 (0.47) PLK1ELANEPRTN3RARBSUCNR1
SCHEMBL644677 0.79 PLK1 (0.61) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL15484626 0.78 PLK1 (0.52) PLK1ELANEPRTN3RARBSUCNR1

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 1883/4885ELANE 509/4885PRTN3 867/4885

“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.