SCHEMBL643903

SCHEMBL643903

CCC(C)OP(=O)(O)C(F)(F)c1ccccc1N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ACP3 P15309 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ANPEP P15144 2/20 0.31
LAP3 P28838 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
PTPN5 P54829 1/20 0.31
PTPN1 P18031 2/20 0.30
ESR1 P03372 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL642677 0.81 POLB (0.39) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL643542 0.80 NPSR1 (0.43) ALDH1A1LMNAGAAHTTMAPK1
SCHEMBL641751 0.80 POLB (0.38) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL642868 0.77 PGK1 (0.42) MAPK1ACP3PTPN5PTPN1
SCHEMBL3800719 0.74 PTPN1 (0.38) PTPN1
SCHEMBL4901294 0.74 PTPN2 (0.32) PTPN1
SCHEMBL4901238 0.74 PTPN1 (0.35) ALDH1A1GAAPOLBPTPN5PTPN1
SCHEMBL3737657 0.74 PTPN1 (0.45) ALDH1A1KDM4EHTTPOLBPTPN5
SCHEMBL3735798 0.74 PTPN5 (0.40) ACP3PTPN5PTPN1
SCHEMBL641442 0.74 ALDH1A1 (0.35) FDPSALDH1A1KDM4EHSD17B10ANPEP

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 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 FDPS 494/4885ALDH1A1 330/4885KDM4E 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.