SCHEMBL1285045

SCHEMBL1285045

Cc1nc([C@@H](C)NC(=O)c2ccc3cc(C(C)(C)C)ccc3c2)ccc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
NR1H4 Q96RI1 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL1643554 0.85 NR1H4 (0.40) PTPN1NR1H4CYP17A1CYP3A4
SCHEMBL1285428 0.84 CYP17A1 (0.39) PTPN1NR1H4CYP17A1CYP3A4TRPV1
SCHEMBL1284683 0.83 NR1H4 (0.47) NR1H4TRPV1
SCHEMBL1285137 0.78 EPHX2 (0.41) PTPN1TRPV1EPHX2
SCHEMBL1285295 0.76 PDE2A (0.43) PTPN1CYP17A1CYP3A4TRPV1
SCHEMBL1285062 0.74 PTPN1 (0.44) PTPN1TRPV1
SCHEMBL12827778 0.74 CHRNA7 (0.41) CYP3A4TRPV1
SCHEMBL1474437 0.74 CHRNA7 (0.41) CYP3A4TRPV1
SCHEMBL14378392 0.73 CYP17A1 (0.41) NR1H4CYP17A1CYP3A4TRPV1
SCHEMBL21467201 0.72 CYP17A1 (0.57) PTPN1NR1H4CYP17A1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US claimed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PTPN1 2094/4885NR1H4 732/4885CYP17A1 4396/4885

“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.