SCHEMBL2005452

SCHEMBL2005452

CC(C)(C)OC(=O)NCc1cc(Cl)c(N)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 2/20 0.40
KDM4A O75164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
IDO1 P14902 2/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
GRM2 Q14416 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
GLS O94925 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MAPKAPK2 P49137 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
SCHEMBL5328132 0.90 HDAC1 (0.37) TSHRGAASMN1; SMN2HDAC1KDM4A
SCHEMBL2004242 0.85 TSHR (0.44) TSHRGAASMN1; SMN2HDAC1KDM4A
SCHEMBL2959710 0.85 HDAC1 (0.40) GAAHDAC1KDM4AL3MBTL1NAMPT
SCHEMBL2948641 0.84 HDAC1 (0.42) GAAHDAC1KDM4AL3MBTL1NAMPT
SCHEMBL2955363 0.82 CACNA1H (0.44) GAAHDAC1KDM4AL3MBTL1NAMPT
SCHEMBL16124509 0.82 HDAC1 (0.46) GAAHDAC1KDM4AL3MBTL1NAMPT
SCHEMBL2956194 0.81 TSHR (0.41) TSHRGAASMN1; SMN2HDAC1KDM4A
SCHEMBL8256927 0.80 TSHR (0.50) TSHRGAASMN1; SMN2HDAC1KDM4A
SCHEMBL2002042 0.79 TSHR (0.39) TSHRGAASMN1; SMN2HDAC1CA1
SCHEMBL964473 0.78 TSHR (0.56) TSHRGAASMN1; SMN2HDAC1KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
CN-101142174-B Novel compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising the same AMOREPACIFIC CORP 2012-05-09 CN 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-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 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-1862454-A1 Novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and a pharmaceutical composition containing the same Amorepacific Corporation (KR) 2007-12-05 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
EP-1861357-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-2006101318-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
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 (2 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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 TSHR 454/4885GAA 4377/4885SMN1; SMN2 1190/4885
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 TSHR 2576/4885GAA 3185/4885SMN1; SMN2 1159/4885

“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.