SCHEMBL641568

SCHEMBL641568

CCOP(=O)(OCC)C(F)(F)C(F)(F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10128358 0.89 PTPRC (0.47) PTPRCNPSR1TDP1ACHECA1
SCHEMBL643448 0.87 PTPRC (0.50) PTPRCNPSR1TDP1ACHECA1
SCHEMBL643468 0.84 CA1 (0.51) NPSR1ACHECA1CA2BCHE
SCHEMBL13545592 0.83 PTPRC (0.45) PTPRCNPSR1TDP1ACHECA1
SCHEMBL642678 0.79 TSHR (0.45) NPSR1GAATSHRLMNAALDH1A1
SCHEMBL27770581 0.77 PTPRC (0.48) PTPRCNPSR1ACHEMAPTGAA
SCHEMBL641569 0.76 PTPRC (0.48) PTPRCCA1CA2MAPTGAA
SCHEMBL643100 0.75 LMNA (0.44) NPSR1CA1MAPTGAALMNA
SCHEMBL11691192 0.74 TSHR (0.57) PTPRCTDP1ACHEGAATSHR
SCHEMBL641786 0.74 NPSR1 (0.42) NPSR1TDP1ACHECA1CA2

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 9 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
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 PTPRC 2840/4885NPSR1 810/4885TDP1 1139/4885

“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.