SCHEMBL643101

SCHEMBL643101

CCNc1cccc(C(F)(F)C(F)(F)P(=O)(O)OC(C)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
MMP2 P08253 1/20 0.39
TRPA1 O75762 1/20 0.38
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
ALOX12 P18054 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
RXFP1 Q9HBX9 2/20 0.35
HPGD P15428 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
SCHEMBL642081 0.88 CA12 (0.40) CA12CA1MMP2TRPA1GAA
SCHEMBL642679 0.82 TSHR (0.39) SMN1; SMN2ALDH1A1LMNANPSR1RXFP1
SCHEMBL641569 0.79 PTPRC (0.48) CA12CA1MMP2GAAMAPT
SCHEMBL14300647 0.77 NPSR1 (0.42) CA12CA1MMP2TRPA1GAA
SCHEMBL643100 0.76 LMNA (0.44) CA12CA1MMP2TRPA1GAA
SCHEMBL10128398 0.75 LMNA (0.43) CA12CA1MMP2TRPA1GAA
SCHEMBL27749823 0.73 TRPA1 (0.40) CA12CA1MMP2TRPA1GAA
SCHEMBL643469 0.71 ALDH1A1 (0.40) CA12CA1MMP2GAAMAPT
SCHEMBL641751 0.70 POLB (0.38) GAASMN1; SMN2ATMMEN1KMT2A
SCHEMBL642868 0.70 PGK1 (0.42)

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 3 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

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 CA12 1616/4885CA1 2189/4885MMP2 280/4885

“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.