SCHEMBL642610

SCHEMBL642610

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.51
ACAT1 P24752 1/20 0.44
RARB P10826 3/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
CACNA1H O95180 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
MCHR1 Q99705 1/20 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
SCHEMBL641800 0.92 PLK1 (0.53) PLK1ACAT1RARBPPARGPPARA
SCHEMBL641666 0.88 PLK1 (0.58) PLK1ACAT1RARBNR1H4CACNA1H
SCHEMBL642515 0.85 LMNA (0.46) RARBPPARGPPARANR1H4MCHR1
SCHEMBL642459 0.84 NR1H4 (0.52) PLK1RARBNR1H4
SCHEMBL642609 0.84 PLK1 (0.55) PLK1ACAT1RARBNR1H4CACNA1H
SCHEMBL643690 0.83 PLK1 (0.61) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL641397 0.82 MCHR1 (0.48) PLK1RARBPPARGPPARANR1H4
SCHEMBL643822 0.82 PLK1 (0.57) PLK1ACAT1RARBPPARGPPARA
SCHEMBL643756 0.82 PLK1 (0.57) PLK1ACAT1RARBNR1H4PLK3
SCHEMBL642217 0.80 PLK1 (0.55) PLK1ACAT1RARBPPARGPPARA

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 5 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
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

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.