SCHEMBL4739698

SCHEMBL4739698

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1NCc1ccsc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.45
PTGS2 P35354 2/20 0.42
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
CTSC P53634 1/20 0.37
TOP1 P11387 1/20 0.36
EGFR P00533 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACP1 P24666 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
GRM5 P41594 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4682443 0.85 NPC1 (0.50) F2PTGS2MAPTTP53POLB
SCHEMBL4682178 0.82 F2 (0.51) F2PTGS2MAPTTP53GAA
SCHEMBL4683098 0.80 ACP1 (0.56) MAPTTP53GAAACP1SMN1; SMN2
SCHEMBL4678759 0.76 MAPT (0.44) F2MAPTTP53GAAPOLB
SCHEMBL5399665 0.73 MAPT (0.48) MAPTTP53GAACYP3A4CYP2C19
SCHEMBL4683039 0.70 NPC1 (0.48) PTGS2MAPTGAANPC1
SCHEMBL4744865 0.69 TOP1 (0.37) PTGS2MAPTTOP1HRH4GRM5
SCHEMBL4739693 0.69 TOP1 (0.37) PTGS2MAPTTOP1LTA4HHRH4
SCHEMBL14445915 0.68 TOP1 (0.39) PTGS2MAPTTOP1LTA4HHRH4
SCHEMBL4744870 0.68 TOP1 (0.39) PTGS2MAPTTOP1LTA4HHRH4

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 6 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
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-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US 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

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 F2 2218/4885PTGS2 665/4885MAPT 4374/4885

“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.