SCHEMBL643864

SCHEMBL643864

CCCCCCCCOc1ccc(-c2ccc(C(=O)N(CC)c3ccccc3C(F)(F)P(=O)(OCC)OCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.46
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
PLK1 P53350 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39

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
SCHEMBL642399 0.90 RARB (0.47) RARBTP53TSHRPLA2G4BHDAC3
SCHEMBL641453 0.86 RARB (0.44) RARBTP53TSHRPLA2G4BHDAC3
SCHEMBL643865 0.84 RARB (0.42) RARBTP53TSHRPLA2G4BHRH3
SCHEMBL641799 0.80 PLK1 (0.58) RARBTP53PLK1
SCHEMBL643451 0.79 RARB (0.49) RARBTP53TSHRPLA2G4BHDAC3
SCHEMBL4079706 0.79 RARB (0.47) RARBTP53TSHRPLA2G4BHDAC3
SCHEMBL643774 0.78 MCHR1 (0.48) RARBTP53TSHRPLA2G4BPLK1
SCHEMBL641373 0.77 RARB (0.44) RARBTP53TSHRPLA2G4BTHRA
SCHEMBL644428 0.76 PLK1 (0.55) RARBTP53PLK1
SCHEMBL643452 0.75 RARB (0.44) RARBTP53TSHRPLA2G4BHDAC3

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-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
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 RARB 4739/4885TP53 4791/4885TSHR 2541/4885

“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.