SCHEMBL641787

SCHEMBL641787

CCC(C)OP(=O)(O)C(F)(F)C(F)(F)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
CES2 O00748 2/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
GAA P10253 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL643542 0.90 NPSR1 (0.43) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL643469 0.79 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HTTCES2
SCHEMBL641569 0.77 PTPRC (0.48) MEN1KMT2AGAALMNATSHR
SCHEMBL641786 0.75 NPSR1 (0.42) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL642381 0.74 KMT2A (0.39) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL642521 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL27749895 0.73 NPSR1 (0.42) NPSR1MEN1KMT2AALDH1A1HTT
SCHEMBL643449 0.72 PTPRC (0.50) KMT2ACYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL642549 0.72 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL643903 0.71 FDPS (0.34) ALDH1A1HTTGAALMNAMAPK1

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-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 NPSR1 810/4885MEN1 2730/4885KMT2A 1761/4885

“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.