SCHEMBL4681192

SCHEMBL4681192

CCCn1nc(-c2ccc(C(F)(F)F)cc2)c(CC)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
KCNK3 O14649 2/20 0.39
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ESR1 P03372 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
DHODH Q02127 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER1 P34995 2/20 0.35
SCN9A Q15858 1/20 0.35
MARS1 P56192 1/20 0.35

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
SCHEMBL4685142 0.86 SCN9A (0.42) TRPM2PTGDR2KDM2BKDM4CALDH1A1
SCHEMBL4682097 0.85 PTGDR2 (0.51) PTGDR2KCNK3ESR1PTGER4
SCHEMBL4682043 0.80 PTGER4 (0.50) PTGDR2KCNK3PTGER4
SCHEMBL4679883 0.74 PTGDR2 (0.40) PTGDR2KDM2BKDM4CPTGER4
SCHEMBL4693225 0.74 ALDH1A1 (0.45) ALDH1A1LMNADHODH
SCHEMBL13365068 0.71 SCN9A (0.44) KDM2BKDM4CALDH1A1LMNADHODH
SCHEMBL19176919 0.71 SIGMAR1 (0.42) TRPM2ALDH1A1SCN9A
SCHEMBL4682706 0.71 PTGER4 (0.48) PTGDR2ALDH1A1PTGER4
SCHEMBL4678365 0.69 MAP2K4 (0.48) DHODH
SCHEMBL10172743 0.69 SMN1; SMN2 (0.48) ALDH1A1LMNADHODH

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 TRPM2 1337/4885PTGDR2 494/4885KCNK3 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.