Sugi Predict

Sugi Predict / Compounds / SCHEMBL641786

SCHEMBL641786

SCHEMBL641786

CCOP(=O)(OCC)C(F)(F)C(F)(F)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ ACHE P22303 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RECQL P46063 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 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
SCHEMBL643541 0.89 NPSR1 (0.46) NPSR1LMNACA1CA2GAA
SCHEMBL27749895 0.76 NPSR1 (0.42) NPSR1LMNAGAAALDH1A1ACHE
SCHEMBL641787 0.75 NPSR1 (0.40) NPSR1LMNAGAAALDH1A1ACHE
SCHEMBL643468 0.75 CA1 (0.51) NPSR1LMNACA1CA2GAA
SCHEMBL641568 0.74 PTPRC (0.48) NPSR1LMNACA1CA2GAA
SCHEMBL5986551 0.73 TSHR (0.45) LMNACA1CA2GAAALDH1A1
SCHEMBL4023532 0.72 NPSR1 (0.44) NPSR1LMNACA1CA2GAA
SCHEMBL4253886 0.71 NPSR1 (0.47) NPSR1ALDH1A1TDP1RAB9AHSD17B10
SCHEMBL13545594 0.70 NPSR1 (0.36) NPSR1ALDH1A1TDP1RAB9AHSD17B10
SCHEMBL12003887 0.69 NPSR1 (0.54) NPSR1GAAALDH1A1ACHECES2

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 10 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-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 — — US 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
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 — — US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 — — US 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 NPSR1 810/4885LMNA 1589/4885CA1 2189/4885

“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.