SCHEMBL4624565

SCHEMBL4624565

CS(=O)(=O)Nc1cc(F)c(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
ACLY P53396 2/20 0.42
PGR P06401 3/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
SLC22A12 Q96S37 2/20 0.38
BRD4 O60885 1/20 0.38
KIT P10721 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
STAT3 P40763 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL6574292 0.88 PGR (0.39) TRPV4ACLYPGRNR3C1NR3C2
SCHEMBL6573215 0.79 PGR (0.36) TRPV4PGRNR3C1NR3C2AR
SCHEMBL3779353 0.79 KDM1A (0.38) ACLYPGRNR3C1SLC22A12BRD4
SCHEMBL3186092 0.76 TRPV4 (0.50) TRPV4ACLYUSP30
SCHEMBL29467983 0.75 ACLY (0.52) ACLYPGRNR3C1SLC22A12KDM1A
SCHEMBL1013625 0.75 KIF11 (0.43) PGRSLC22A12
SCHEMBL10208423 0.75 ACLY (0.52) ACLYPGRNR3C1SLC22A12KDM1A
SCHEMBL6857747 0.75 PGR (0.52) ACLYPGRNR3C1NR3C2AR
SCHEMBL2005491 0.75 SLC22A12 (0.47) ACLYPGRNR3C1SLC22A12
SCHEMBL1530172 0.73 TNIK (0.39) BRD4KITKDM1AMAOATNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
EP-1303483-B1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2008-04-23 EP disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 TRPV4 106/4885ACLY 848/4885PGR 1041/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 TRPV4 28/4885ACLY 2348/4885PGR 2213/4885

“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.