SCHEMBL643468

SCHEMBL643468

CCOP(=O)(OCC)C(F)(F)C(F)(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 2/20 0.40
AKR1C3 P42330 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 1/20 0.40
HSD11B1 P28845 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL642520 0.85 CA1 (0.54) CA1CA2ACHEBCHEALDH1A1
SCHEMBL641568 0.84 PTPRC (0.48) CA1CA2ACHEBCHEALDH1A1
SCHEMBL2033898 0.81 CA1 (0.55) CA1CA2ACHEBCHEALDH1A1
SCHEMBL10128365 0.79 CA1 (0.43) CA1CA2ACHEBCHEALDH1A1
SCHEMBL641786 0.75 NPSR1 (0.42) CA1CA2ACHEBCHEALDH1A1
SCHEMBL27770580 0.74 ALDH1A1 (0.43) CA1CA2ACHEBCHEALDH1A1
SCHEMBL10155660 0.74 ALDH1A1 (0.40) CA1CA2ACHEBCHEALDH1A1
SCHEMBL5663668 0.74 CA1 (0.48) CA1CA2ACHEBCHEALDH1A1
SCHEMBL5663670 0.74 CA1 (0.48) CA1CA2ACHEBCHEALDH1A1
SCHEMBL643469 0.74 ALDH1A1 (0.40) CA1CA2ACHEBCHEALDH1A1

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 8 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
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 CA1 2189/4885CA2 430/4885ACHE 22/4885

“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.