SCHEMBL1285295

SCHEMBL1285295

Cc1cc([C@@H](C)NC(=O)c2ccc3cc(C(F)(F)F)ccc3c2)ncc1NS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.43
PTPN1 P18031 1/20 0.42
B3GNT2 Q9NY97 1/20 0.42
PPARD Q03181 2/20 0.40
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
DDR2 Q16832 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
RORC P51449 3/20 0.36
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
NR1I2 O75469 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PTGER4 P35408 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
SCHEMBL1285428 0.91 CYP17A1 (0.39) PDE2APTPN1B3GNT2CYP17A1CYP3A4
SCHEMBL1644853 0.86 PDE2A (0.43) PDE2AB3GNT2PPARDCYP17A1CYP3A4
SCHEMBL1285062 0.83 PTPN1 (0.44) PDE2APTPN1DDR2NPSR1TRPV1
SCHEMBL14378143 0.83 PDE2A (0.46) PDE2APTPN1B3GNT2CYP17A1CYP3A4
SCHEMBL1285299 0.82 PDE2A (0.46) PDE2APTPN1NPSR1TRPV1
SCHEMBL1285582 0.82 PDE2A (0.46) PDE2APTPN1NPSR1TRPV1
SCHEMBL1285830 0.81 CYP17A1 (0.39) PDE2AB3GNT2CYP17A1CYP3A4
SCHEMBL1285829 0.81 CYP17A1 (0.39) PDE2AB3GNT2CYP17A1CYP3A4
SCHEMBL10271858 0.81 PDE2A (0.46) PDE2APTPN1TRPV1
SCHEMBL1285051 0.81 TRPV1 (0.42) PDE2APTPN1DDR2TRPV1PTGER4

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 PDE2A 1116/4885PTPN1 2094/4885B3GNT2 621/4885

“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.