SCHEMBL13655802

SCHEMBL13655802

CC(N)c1ccc(C(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
ROCK1 Q13464 3/20 0.53
SCN9A Q15858 3/20 0.53
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
P4HTM Q9NXG6 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
PHGDH O43175 1/20 0.44
SCN5A Q14524 1/20 0.44
MAP4K4 O95819 2/20 0.43
CIT O14578 1/20 0.43
PRKD3 O94806 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKACA P17612 1/20 0.43
CSNK2A2 P19784 1/20 0.43
MARK3 P27448 1/20 0.43
BMPR1A P36894 1/20 0.43

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
SCHEMBL17971206 0.86 KDM4E (0.62) SCN9AKDM4ELMNAP4HTMHDAC8
SCHEMBL13656131 0.80 SCN9A (0.50) SCN9AKDM4ELMNAP4HTMHDAC8
SCHEMBL13656027 0.80 MEN1 (0.57) ROCK2ROCK1KDM4ELMNAP4HTM
SCHEMBL12052085 0.78 ROCK2 (0.58) ROCK2ROCK1HDAC8HDAC6HDAC1
SCHEMBL8247872 0.78 ROCK2 (0.58) ROCK2ROCK1HDAC8HDAC6HDAC1
SCHEMBL3374779 0.78 SCN9A (0.54) SCN9AKDM4EP4HTMSCN5AMAP4K4
SCHEMBL8255268 0.78 ROCK2 (0.58) ROCK2ROCK1HDAC8HDAC6HDAC1
SCHEMBL1647742 0.78 LMNA (0.54) SCN9AKDM4ELMNAP4HTMMAP4K4
SCHEMBL680063 0.78 KDM4E (0.54) SCN9AKDM4ELMNAP4HTMHDAC8
SCHEMBL279954 0.76 HDAC1 (0.63) SCN9ALMNAP4HTMHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 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-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 ROCK2 1321/4885ROCK1 1571/4885SCN9A 2463/4885

“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.