SCHEMBL2742884

SCHEMBL2742884

CC#CC(CC(=O)OC)c1ccc(OCC2(COc3ccc(C#N)c(Cl)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.46
TRPV4 Q9HBA0 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39

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
SCHEMBL231019 0.91 FFAR1 (0.56) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL224879 0.84 FFAR1 (0.46) FFAR1
SCHEMBL225598 0.84 FFAR1 (0.46) FFAR1
SCHEMBL231113 0.82 FFAR1 (0.54) FFAR1
SCHEMBL230950 0.81 FFAR1 (0.48) FFAR1
SCHEMBL232151 0.79 FFAR1 (0.48) FFAR1
SCHEMBL231174 0.77 FFAR1 (0.57) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL224951 0.76 FFAR1 (0.56) FFAR1
SCHEMBL223927 0.75 FFAR1 (0.57) FFAR1
SCHEMBL231177 0.74 FFAR1 (0.76) FFAR1CYP2C9CYP2B6SLCO1B3

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-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 US disclosed
US-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 US disclosed
US-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 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-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT REN, PKD1, AKR1C3 FFAR1 287/4885TRPV4 1309/4885CYP2C9 163/4885

“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.