SCHEMBL642677

SCHEMBL642677

CCC(C)OP(=O)(O)C(F)(F)c1ccccc1NO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 4/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL641751 0.88 POLB (0.38) POLBMAPK1KDM4EKMT2AL3MBTL1
SCHEMBL643903 0.81 FDPS (0.34) POLBMAPK1KDM4EALDH1A1GAA
SCHEMBL643542 0.78 NPSR1 (0.43) MAPK1KMT2AALDH1A1GAALMNA
SCHEMBL642676 0.73 KDM4E (0.42) POLBMAPK1KDM4EKMT2AALDH1A1
SCHEMBL3800719 0.72 PTPN1 (0.38)
SCHEMBL4901238 0.72 PTPN1 (0.35) POLBL3MBTL1ALDH1A1HPGDGAA
SCHEMBL3737657 0.72 PTPN1 (0.45) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL4901294 0.72 PTPN2 (0.32)
SCHEMBL3735798 0.72 PTPN5 (0.40)
SCHEMBL2958031 0.71 ACP3 (0.38) POLBMAPK1KDM4EKMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 POLB 4717/4885MAPK1 3198/4885KDM4E 837/4885

“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.