SCHEMBL1996804

SCHEMBL1996804

CCS(=O)(=O)Nc1c(F)cc(CN)cc1I

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.38
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MRGPRX1 Q96LB2 2/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
JAK1 P23458 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
SCHEMBL4555234 0.89 PSIP1 (0.43) PSIP1LMNAHPGDHTTSMN1; SMN2
SCHEMBL2005661 0.86 ADRA2C (0.38)
SCHEMBL4553706 0.81 PGR (0.38) PSIP1LMNAHPGDHTTSMN1; SMN2
SCHEMBL955620 0.74 ADRA2C (0.42) LMNAHPGDHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3788306 0.72 ADRA2C (0.41) LMNAHPGDHTTSMN1; SMN2
SCHEMBL1985885 0.72 PSIP1 (0.56) PSIP1LMNAHPGDHTTSMN1; SMN2
SCHEMBL955664 0.70 ADRA2C (0.39)
SCHEMBL2008356 0.68 HPGD (0.33) LMNAHPGDHTTSMN1; SMN2
SCHEMBL5278076 0.68 ADRA2C (0.38) PTGES2
SCHEMBL954083 0.68 ADRA2C (0.35) PGRAR

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 5 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
CN-101163670-A Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist, and pharmaceutical compositions containing the same AMOREPACIFIC CORP (KR) 2008-04-16 CN 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 PSIP1 4670/4885LMNA 4557/4885HPGD 1177/4885

“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.