SCHEMBL643690

SCHEMBL643690

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)P(=O)(O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.61
ACAT1 P24752 1/20 0.52
RARB P10826 3/20 0.51
NR1H4 Q96RI1 2/20 0.48
PLK3 Q9H4B4 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 1/20 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
SCHEMBL641666 0.91 PLK1 (0.58) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL643756 0.90 PLK1 (0.57) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL641799 0.89 PLK1 (0.58) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL641800 0.87 PLK1 (0.53) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL644428 0.87 PLK1 (0.55) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL642609 0.85 PLK1 (0.55) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL642583 0.83 LMNA (0.55) PLK1RARBNR1H4RAB9A
SCHEMBL643102 0.83 PLK1 (0.65) PLK1ACAT1RARBNR1H4
SCHEMBL642610 0.83 PLK1 (0.51) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL644422 0.81 PLK1 (0.63) PLK1ACAT1RARBNR1H4

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 1883/4885ACAT1 235/4885RARB 4739/4885

“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.