SCHEMBL2742880

SCHEMBL2742880

CC#CC(CC(=O)OC)c1ccc(OCC2(COc3ccc(C(F)(F)F)cc3Cl)COC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.49
PPARD Q03181 1/20 0.39
PPARA Q07869 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
SCHEMBL231275 0.92 FFAR1 (0.59) FFAR1
SCHEMBL10064428 0.88 MRGPRX4 (0.41) FFAR1PPARDPPARA
SCHEMBL230898 0.84 FFAR1 (0.61) FFAR1
SCHEMBL223008 0.83 FFAR1 (0.52) FFAR1PPARDPPARA
SCHEMBL2974948 0.81 FFAR1 (0.48) FFAR1PPARDPPARA
SCHEMBL224356 0.76 FFAR1 (0.66) FFAR1PPARDPPARA
SCHEMBL227807 0.75 FFAR1 (0.62) FFAR1
SCHEMBL224860 0.75 FFAR1 (0.63) FFAR1
SCHEMBL224853 0.74 FFAR1 (0.64) FFAR1
SCHEMBL222909 0.73 FFAR1 (0.61) FFAR1

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 287/4885PPARD 204/4885PPARA 142/4885

“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.