SCHEMBL4428862

SCHEMBL4428862

O=C(O)Cc1cccc(S(=O)(=O)c2cccc(-c3cccc(F)c3F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
HTR6 P50406 1/20 0.42
SELL P14151 3/20 0.41
SELP P16109 3/20 0.41
SELE P16581 2/20 0.41
KAT6A Q92794 2/20 0.40
PTGS2 P35354 1/20 0.38
FABP4 P15090 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL4431262 0.91 FFAR1 (0.52) FFAR1PLA2G10PLA2G2AHTR6SELL
SCHEMBL4435665 0.86 FFAR1 (0.41) FFAR1PTGDR2
SCHEMBL4440778 0.82 SHMT1 (0.48) FFAR1PLA2G10PLA2G2AHTR6PTGS2
SCHEMBL4440751 0.82 KAT6A (0.45) FFAR1HTR6KAT6APTGS2PTGDR2
SCHEMBL4428876 0.81 ABCC4 (0.51) FFAR1PLA2G10PLA2G2AHTR6PTGDR2
SCHEMBL4437914 0.81 MMP1 (0.50) HTR6KAT6APTGS2PTGDR2
SCHEMBL4434080 0.80 PSEN1 (0.51) PTGDR2
SCHEMBL4433405 0.80 PTGDR2 (0.43) FFAR1PLA2G10PLA2G2APTGDR2
SCHEMBL4430126 0.79 FFAR1 (0.50) FFAR1PTGS2PTGDR2
SCHEMBL4428870 0.79 GRIN2D (0.41) HTR6PTGS2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD FFAR1 30/4885PLA2G10 1462/4885PLA2G2A 1516/4885

“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.