SCHEMBL233533

SCHEMBL233533

COC(CC(=O)O)c1ccc(OCC2(C(O)c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.37
CHRM5 P08912 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC6A9 P48067 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
SCHEMBL231550 0.83 FFAR1 (0.47) FFAR1PPARGPPARD
SCHEMBL231413 0.75 FFAR1 (0.42) FFAR1PPARGPPARD
SCHEMBL317962 0.74 FFAR1 (0.45) FFAR1PPARGPPARD
SCHEMBL2742886 0.73 FFAR1 (0.41) FFAR1PPARGPPARD
SCHEMBL2944400 0.72 FFAR1 (0.43) FFAR1PPARGPPARD
SCHEMBL232572 0.72 FFAR1 (0.50) FFAR1PPARGSLC6A9
SCHEMBL231814 0.71 FFAR1 (0.46) FFAR1
SCHEMBL10064988 0.70 FFAR1 (0.52) FFAR1PPARGPPARD
SCHEMBL231420 0.69 FFAR1 (0.61) FFAR1
SCHEMBL3013876 0.68 FFAR1 (0.50) FFAR1PPARGPPARD

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
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

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 287/4885PPARG 313/4885PPARD 204/4885

“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.