SCHEMBL2006254

SCHEMBL2006254

CS(=O)(=O)Nc1ccc(CN)cc1I

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.42
PTK2 Q05397 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.38
CA1 P00915 1/20 0.37
PSIP1 O75475 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1660192 0.81 MAPT (0.43) ADRB3PTK2ADRA2AADRA2BADRA2C
SCHEMBL1659054 0.80 TRPV1 (0.52)
Hydrochloric Acid SCHEMBL2002633 0.80 MAPT (0.43) ADRB3PTK2ADRA2AADRA2BADRA2C
SCHEMBL2006924 0.80 CSNK2A1 (0.42) PTK2ADRA2AADRA2BADRA2CADRA1A
Ammonia Solution, Strong SCHEMBL2211138 0.79 TRPV1 (0.51)
Hydrochloric Acid SCHEMBL4640588 0.79 CSNK2A1 (0.43) PTK2ADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL1474450 0.79 TRPV1 (0.51)
Hydrochloric Acid SCHEMBL4640586 0.78 CSNK2A1 (0.40) PTK2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15957207 0.78 LMNA (0.49) ADRB3CA2ALDH1A1LMNAHPGD
SCHEMBL13028793 0.77 CA2 (0.41) ADRB3CA2CA1

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 ADRB3 385/4885PTK2 3681/4885ADRA2A 375/4885

“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.