SCHEMBL2005491

SCHEMBL2005491

CS(=O)(=O)Nc1ccc(C#N)cc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
PARP14 Q460N5 1/20 0.44
PGR P06401 1/20 0.44
ACLY P53396 1/20 0.43
MAP2K1 Q02750 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL29467983 0.87 ACLY (0.52) SLC22A12PARP14PGRACLYMAP2K1
SCHEMBL10208423 0.87 ACLY (0.52) SLC22A12PARP14PGRACLYMAP2K1
SCHEMBL17374996 0.83 MAP2K2 (0.42) MAP2K1
SCHEMBL9534684 0.83 PTGS2 (0.54) SLC22A12PARP14MAP2K1
SCHEMBL4593012 0.81 TNIK (0.48) SLC22A12PARP14PGRNR3C1
SCHEMBL6389949 0.80 SLC22A12 (0.47) SLC22A12PARP14PGRNR3C1
SCHEMBL4641810 0.80 SLC22A12 (0.54) SLC22A12PARP14PGRNR3C1
SCHEMBL9340013 0.78 PARP14 (0.48) SLC22A12PARP14PGRNR3C1
SCHEMBL9655254 0.78 PTGS2 (0.58) SLC22A12
SCHEMBL12060800 0.78 SLC22A12 (0.45) SLC22A12PARP14PGRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796328-B2 TRPV1 antagonists ABBVIE INC. 2014-08-05 US disclosed
US-20130345255-A1 TRPV1 ANTAGONISTS ABBVIE INC. 2013-12-26 US disclosed
US-7994167-B2 Pentafluorosulphanyl-substituted compound and its use for producing medicaments GRUENENTHAL GMBH (DE) 2011-08-09 US disclosed
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-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments GRUENENTHAL GMGH (DE) 2009-05-28 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
US-20080227995-A1 Process of Sulfonating 4-Aminobenzonitriles SCHWARZ PHARMA AG (DE) 2008-09-18 US disclosed
US-20080227995-A1 Process of Sulfonating 4-Aminobenzonitriles SCHWARZ PHARMA AG (DE) 2008-09-18 US disclosed
US-20080227995-A1 Process of Sulfonating 4-Aminobenzonitriles SCHWARZ PHARMA AG (DE) 2008-09-18 US disclosed
EP-1910280-A2 PROCESS OF SULFONATING 4-AMINOBENZONITRILES SCHWARZ PHARMA AG (DE) 2008-04-16 EP 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-2007009798-A2 PROCESS OF SULFONATING 4-AMINOBENZONITRILES SCHWARZ PHARMA AG (DE) 2007-01-25 WO disclosed
WO-2007009798-A2 PROCESS OF SULFONATING 4-AMINOBENZONITRILES SCHWARZ PHARMA AG (DE) 2007-01-25 WO 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 (4 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 SLC22A12 1031/4885PARP14 2975/4885PGR 1469/4885
US-20080227995-A1 Process of Sulfonating 4-Aminobenzonitriles STS, ARSA, CYP2S1 SLC22A12 2305/4885PARP14 2413/4885PGR 4857/4885
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments FIBP, PFAS, FPR3 SLC22A12 2925/4885PARP14 1640/4885PGR 4318/4885
US-20130345255-A1 TRPV1 ANTAGONISTS TRPV1, NPY1R, OPRL1 SLC22A12 1666/4885PARP14 1859/4885PGR 987/4885

“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.