SCHEMBL642678

SCHEMBL642678

CCOP(=O)(OCC)C(F)(F)C(F)(F)c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 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
SCHEMBL10128394 0.87 TSHR (0.44) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL642867 0.85 TSHR (0.47) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL14303548 0.82 TSHR (0.39) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL643100 0.80 LMNA (0.44) LMNANPSR1GAAMEN1KMT2A
SCHEMBL641568 0.79 PTPRC (0.48) TSHRMAPK1CYP3A4LMNANPSR1
SCHEMBL27770608 0.74 TSHR (0.45) TSHRMAPK1TP53CYP3A4PTGS1
SCHEMBL642679 0.74 TSHR (0.39) TSHRMAPK1TP53LMNANPSR1
SCHEMBL10714404 0.72 TSHR (0.74) TSHRMAPK1CYP3A4LMNAGAA
SCHEMBL5795784 0.70 PTPN1 (0.48) TSHRMAPK1LMNANPSR1MEN1
SCHEMBL2036856 0.69 PGK1 (0.38) TSHRTP53CYP3A4LMNANPSR1

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-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 TSHR 2541/4885MAPK1 3198/4885TP53 4791/4885

“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.