SCHEMBL2005341

SCHEMBL2005341

CS(=O)(=O)Nc1c(F)cc(C#N)cc1I

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
PGR P06401 6/20 0.36
SLC22A12 Q96S37 1/20 0.33
NR3C1 P04150 3/20 0.32
NR3C2 P08235 3/20 0.32
AR P10275 2/20 0.32
ACLY P53396 3/20 0.31
HSD11B1 P28845 2/20 0.31
GPR27 Q9NS67 1/20 0.30
PARP14 Q460N5 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
SCHEMBL4645004 0.89 PGR (0.40) PGRSLC22A12NR3C1NR3C2AR
SCHEMBL2005661 0.72 ADRA2C (0.38)
SCHEMBL2005491 0.71 SLC22A12 (0.47) PGRSLC22A12NR3C1ACLYPARP14
SCHEMBL6389949 0.71 SLC22A12 (0.47) TTRALBPGRSLC22A12NR3C1
SCHEMBL15959190 0.70 PGR (0.34) PGRNR3C1NR3C2AR
SCHEMBL17501363 0.69 IRAK4 (0.42) PGRSLC22A12HSD11B1
SCHEMBL954083 0.69 ADRA2C (0.35) PGRNR3C1NR3C2AR
SCHEMBL22003181 0.69 TTR (0.54) TTRALB
SCHEMBL23099521 0.68 TTR (0.52) TTRALB
SCHEMBL19354876 0.68 TTR (0.37) TTRALB

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-7960584-B2 3-(4-t-butyl-phenyl)-N-(4-methanesulfonylamino-benzyl)-2-methyl-acrylamide; pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane AMOREPACIFIC CORPORATION (KR) 2011-06-14 US disclosed
US-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same AMOREPACIFIC CORPORATION (KR) 2008-09-25 US disclosed
EP-1861358-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101321-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 WO 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-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same TRPV1, TRPA1, TRPV5 TTR 3575/4885ALB 4476/4885PGR 1469/4885

“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.