Sugi Predict

Sugi Predict / Compounds / SCHEMBL643541

SCHEMBL643541

SCHEMBL643541

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ACHE P22303 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 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
SCHEMBL641786 0.89 NPSR1 (0.42) NPSR1LMNAGAAALDH1A1CA1
SCHEMBL5986551 0.83 TSHR (0.45) LMNAGAAALDH1A1CA1CA2
SCHEMBL643902 0.76 ALDH1A1 (0.40) NPSR1LMNAGAAALDH1A1CA2
SCHEMBL5506535 0.76 CA1 (0.41) NPSR1LMNAGAAALDH1A1CA1
SCHEMBL4023532 0.76 NPSR1 (0.44) NPSR1LMNAGAAALDH1A1CA1
SCHEMBL642520 0.76 CA1 (0.54) LMNAGAAALDH1A1CA1CA2
SCHEMBL643448 0.74 PTPRC (0.50) NPSR1LMNAGAAALDH1A1CA1
SCHEMBL27749895 0.74 NPSR1 (0.42) NPSR1LMNAGAAALDH1A1ACHE
SCHEMBL12003887 0.74 NPSR1 (0.54) NPSR1GAAALDH1A1ACHECES2
SCHEMBL642380 0.73 MEN1 (0.48) NPSR1LMNAGAAALDH1A1CA1

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-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-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
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
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 1589/4885GAA 24/4885

“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.