SCHEMBL641569

SCHEMBL641569

CCC(C)OP(=O)(O)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
CA12 O43570 2/20 0.38
MMP2 P08253 2/20 0.38
ACP3 P15309 1/20 0.38
CA1 P00915 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
ATM Q13315 1/20 0.37
CACNA1C Q13936 1/20 0.37
KMT2A Q03164 3/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
MLYCD O95822 1/20 0.36
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL643449 0.89 PTPRC (0.50) PTPRCCA12MMP2ACP3CA1
SCHEMBL643469 0.86 ALDH1A1 (0.40) CA12MMP2CA1AKR1C3KMT2A
SCHEMBL642679 0.81 TSHR (0.39) ACP3LMNATSHR
SCHEMBL643101 0.79 CA12 (0.39) CA12MMP2CA1ATMKMT2A
SCHEMBL13545592 0.78 PTPRC (0.45) PTPRCACP3CA1AKR1C3AKR1C2
SCHEMBL917313 0.77 NPSR1 (0.46) PTPRCCA12MMP2ACP3CA1
SCHEMBL641787 0.77 NPSR1 (0.40) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL642521 0.76 ALDH1A1 (0.42) CA12MMP2CA1AKR1C3CA2
SCHEMBL641568 0.76 PTPRC (0.48) PTPRCCA1ATMKMT2AMEN1
SCHEMBL10128358 0.75 PTPRC (0.47) PTPRCCA1ATMKMT2AMEN1

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-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 2840/4885CA12 1616/4885MMP2 280/4885

“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.