SCHEMBL4685142

SCHEMBL4685142

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 1/20 0.39
TRPM2 O94759 1/20 0.39
DHODH Q02127 1/20 0.38
SCN5A Q14524 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
MAPT P10636 1/20 0.38
TDP2 O95551 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GRM5 P41594 1/20 0.37
PTGER1 P34995 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
SCHEMBL4681192 0.86 TRPM2 (0.41) SCN9AALDH1A1KDM2BKDM4CLMNA
SCHEMBL10172743 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4ELMNADHODH
SCHEMBL13365068 0.82 SCN9A (0.44) SCN9AALDH1A1KDM4EKDM2BKDM4C
SCHEMBL27676185 0.82 GRIA2 (0.44) ALDH1A1KDM4ELMNAMAPT
SCHEMBL4682097 0.81 PTGDR2 (0.51) PTGDR2
SCHEMBL19176919 0.79 SIGMAR1 (0.42) SCN9ASMN1; SMN2ALDH1A1KDM4ETRPM2
SCHEMBL4682043 0.77 PTGER4 (0.50) PTGDR2
SCHEMBL28709405 0.73 KMT2A (0.53) SCN9ASMN1; SMN2ALDH1A1KDM2BKDM4C
SCHEMBL10959357 0.73 MAPT (0.46) SCN9ASMN1; SMN2ALDH1A1KDM4ETRPM2
SCHEMBL4678365 0.72 MAP2K4 (0.48) DHODHMAPT

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 SCN9A 743/4885SMN1; SMN2 3646/4885ALDH1A1 826/4885

“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.