SCHEMBL2004117

SCHEMBL2004117

C/C(=C/C(=O)O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.71
NR4A2 P43354 1/20 0.71
NR4A3 Q92570 1/20 0.71
SRD5A2 P31213 1/20 0.53
HDAC1 Q13547 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
RARA P10276 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
EPHX2 P34913 3/20 0.46

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
SCHEMBL2004119 1.00 NR4A1 (0.71) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL4000593 1.00 NR4A1 (0.71) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL28961065 0.98 NR4A1 (0.69) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL6485747 0.95 NR4A1 (0.65) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL6485751 0.95 NR4A1 (0.65) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL11494004 0.86 NR4A1 (0.53) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL14366857 0.86 NR4A1 (0.53) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL4021645 0.83 NR4A1 (1.00) NR4A1NR4A2NR4A3SRD5A2ALDH1A1
SCHEMBL4021642 0.83 NR4A1 (1.00) NR4A1NR4A2NR4A3SRD5A2ALDH1A1
SCHEMBL4021643 0.83 NR4A1 (1.00) NR4A1NR4A2NR4A3SRD5A2ALDH1A1

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 16 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 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
EP-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 EP disclosed
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 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
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-02-09 US disclosed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP disclosed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 US disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 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 (6 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NR4A1 709/4885NR4A2 502/4885NR4A3 581/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NR4A1 709/4885NR4A2 502/4885NR4A3 581/4885
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 NR4A1 287/4885NR4A2 369/4885NR4A3 408/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NR4A1 719/4885NR4A2 522/4885NR4A3 593/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NR4A1 709/4885NR4A2 502/4885NR4A3 581/4885
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 NR4A1 709/4885NR4A2 502/4885NR4A3 581/4885

“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.