SCHEMBL4682097

SCHEMBL4682097

CCc1c(-c2ccc(C(F)(F)F)cc2)nn(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.51
PTGER4 P35408 6/20 0.46
KCNK3 O14649 1/20 0.46
ESR1 P03372 1/20 0.44
CFTR P13569 1/20 0.44
F2RL3 Q96RI0 1/20 0.42

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
SCHEMBL4682043 0.88 PTGER4 (0.50) PTGDR2PTGER4KCNK3
SCHEMBL4682706 0.86 PTGER4 (0.48) PTGDR2PTGER4F2RL3
SCHEMBL4681192 0.85 TRPM2 (0.41) PTGDR2PTGER4KCNK3ESR1
SCHEMBL4685142 0.81 SCN9A (0.42) PTGDR2
SCHEMBL4688302 0.79 GRN (0.47)
SCHEMBL4006704 0.75 POLB (0.58) PTGDR2
SCHEMBL28818513 0.73 KCNK3 (0.61) PTGDR2KCNK3ESR1
SCHEMBL30928902 0.72 CFTR (0.63) PTGDR2ESR1CFTR
SCHEMBL25344303 0.72 PTGER4 (0.74) PTGER4
Trifluoroacetic Acid SCHEMBL28818550 0.72 HTR7 (0.53) PTGDR2KCNK3ESR1

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-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA PTGDR2 494/4885PTGER4 418/4885KCNK3 3477/4885

“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.