SCHEMBL4094789

SCHEMBL4094789

CS(=O)(=O)Nc1ccc(F)cc1I

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
SLC22A12 Q96S37 1/20 0.42
PTGS1 P23219 3/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
ADRB3 P13945 1/20 0.41
PLA2G7 Q13093 3/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL10626704 0.81 PTGS2 (0.56) PTGS2PTGS1PLA2G7
SCHEMBL15108250 0.79 PLA2G7 (0.49) PTGS2SLC22A12PTGS1NR3C1PGR
SCHEMBL6663236 0.78 ALDH1A1 (0.44) PTGS2SLC22A12PTGS1CA2CA1
SCHEMBL4143797 0.78 KIF11 (0.46) PTGS2PTGS1ALDH1A1NR3C1PGR
SCHEMBL13028793 0.78 CA2 (0.41) CA2CA1ADRB3
SCHEMBL16492686 0.78 KMT2A (0.55) PTGS2SLC22A12PTGS1CA2CA1
SCHEMBL3746873 0.77 KIF11 (0.50) SLC22A12CA2NR3C1
SCHEMBL28610415 0.77 KEAP1 (0.54) CA2CA1ALDH1A1
SCHEMBL17703732 0.76 NR3C1 (0.43) PTGS2SLC22A12PTGS1ALDH1A1NR3C1
SCHEMBL1688371 0.76 PLA2G7 (0.49) PTGS2SLC22A12PTGS1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US 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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 PTGS2 268/4885SLC22A12 1125/4885PTGS1 238/4885

“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.