SCHEMBL1644450

SCHEMBL1644450

Cc1cc([C@@H](C)NC(=O)c2cnc3cc(Br)cnc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.32
S1PR1 P21453 4/20 0.32
SCN9A Q15858 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
SCN5A Q14524 1/20 0.31
HPGDS O60760 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL1285128 0.85 MAPK1 (0.39) SCN5ACNR1
SCHEMBL1285130 0.85 MAPK1 (0.39) SCN5ACNR1
SCHEMBL1285349 0.84 TRPV1 (0.36) CNR1
SCHEMBL1644142 0.82 CNR1 (0.37) CNR1
SCHEMBL1285023 0.81 PDE2A (0.40) SCN9AHPGDS
SCHEMBL1285664 0.81 PDE2A (0.40) SCN9AHPGDS
SCHEMBL1284842 0.80 PDE2A (0.44) HPGDS
SCHEMBL1285594 0.79 ABL1 (0.38) SCN9AMAPTSCN5AHPGDS
SCHEMBL1285216 0.79 ABL1 (0.38) SCN9AMAPTSCN5AHPGDS
SCHEMBL1645191 0.77 GRN (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT

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 2 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 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 S1PR3 589/4885S1PR1 760/4885SCN9A 126/4885

“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.