SCHEMBL4744865

SCHEMBL4744865

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1C(=N)c1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.37
PHGDH O43175 1/20 0.36
RAD51 Q06609 1/20 0.35
AGER Q15109 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 1/20 0.33
GRM5 P41594 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP2 O95551 1/20 0.32
CASP1 P29466 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL4685148 0.84 MAPT (0.39) PHGDHGRM5ALDH1A1NPC1MAPT
SCHEMBL10959817 0.73 PHGDH (0.51) PHGDHRAD51AGERADORA3GRM5
SCHEMBL4739693 0.72 TOP1 (0.37) TOP1RAD51PTGS2GRM5HRH4
SCHEMBL2362545 0.70 CA12 (0.47) PHGDHRAD51AGERADORA3GRM5
SCHEMBL17290824 0.70 PTGS2 (0.44) RAD51ADORA3PTGS2GRM5F2RL3
SCHEMBL14445915 0.69 TOP1 (0.39) TOP1RAD51PTGS2HRH4F2RL3
SCHEMBL4744870 0.69 TOP1 (0.39) TOP1RAD51PTGS2HRH4F2RL3
SCHEMBL4739698 0.69 F2 (0.45) TOP1PTGS2GRM5HRH4NPC1
SCHEMBL5411426 0.68 ALDH1A1 (0.54) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4681659 0.68 NPY5R (0.46) RAD51PTGS2HRH4F2RL3ALDH1A1

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 3 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

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 TOP1 1713/4885PHGDH 146/4885RAD51 3979/4885

“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.