SCHEMBL643100

SCHEMBL643100

CCNc1cccc(C(F)(F)C(F)(F)P(=O)(OCC)OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
NPSR1 Q6W5P4 6/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TRPA1 O75762 1/20 0.40
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
MMP2 P08253 1/20 0.35
MAPT P10636 2/20 0.35
XBP1 P17861 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
SCHEMBL10128398 0.88 LMNA (0.43) LMNANPSR1GAAMEN1KMT2A
SCHEMBL642080 0.86 NPSR1 (0.46) LMNANPSR1GAAMEN1KMT2A
SCHEMBL14300647 0.83 NPSR1 (0.42) LMNANPSR1GAAMEN1KMT2A
SCHEMBL642678 0.80 TSHR (0.45) LMNANPSR1GAAMEN1KMT2A
SCHEMBL27749823 0.76 TRPA1 (0.40) LMNANPSR1GAAMEN1KMT2A
SCHEMBL643101 0.76 CA12 (0.39) LMNANPSR1GAAMEN1KMT2A
SCHEMBL641568 0.75 PTPRC (0.48) LMNANPSR1GAAMEN1KMT2A
SCHEMBL30490047 0.73 LMNA (0.53) LMNANPSR1GAAMEN1KMT2A
SCHEMBL42000 0.73 LMNA (0.53) LMNANPSR1GAAMEN1KMT2A
Iodide SCHEMBL29203654 0.72 LMNA (0.51) LMNANPSR1GAAMEN1KMT2A

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
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-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 LMNA 1589/4885NPSR1 810/4885GAA 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.