SCHEMBL4440778

SCHEMBL4440778

O=C(O)Cc1cccc(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.48
SHMT2 P34897 1/20 0.48
PTGDR2 Q9Y5Y4 6/20 0.43
FAAH O00519 1/20 0.40
PTGS2 P35354 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
TBXA2R P21731 2/20 0.39
PTGER1 P34995 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTR6 P50406 1/20 0.39
FFAR1 O14842 1/20 0.39
CNR1 P21554 1/20 0.39
IDH2 P48735 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL4440053 0.86 SUCNR1 (0.50) SHMT1SHMT2PTGDR2PLA2G10PLA2G2A
SCHEMBL4431262 0.85 FFAR1 (0.52) PLA2G10PLA2G2APTGER1HTR6FFAR1
SCHEMBL4434080 0.84 PSEN1 (0.51) PTGDR2TBXA2R
SCHEMBL4432041 0.84 PTGDR2 (0.47) PTGDR2HTR6
SCHEMBL4430126 0.83 FFAR1 (0.50) PTGDR2FAAHPTGS2FFAR1
SCHEMBL4435659 0.83 SHMT1 (0.49) SHMT1SHMT2PTGDR2FAAHLMNA
SCHEMBL4428862 0.82 FFAR1 (0.43) PTGDR2PTGS2PLA2G10PLA2G2AHTR6
SCHEMBL4434928 0.81 FFAR1 (0.54) PTGER1FFAR1
SCHEMBL4434442 0.80 PTGS2 (0.50) SHMT1SHMT2PTGDR2FAAHPTGS2
SCHEMBL4433405 0.79 PTGDR2 (0.43) SHMT1PTGDR2PLA2G10PLA2G2AFFAR1

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 SHMT1 2494/4885SHMT2 2027/4885PTGDR2 626/4885

“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.