SCHEMBL4744870

SCHEMBL4744870

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1N=Cc1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.39
F2RL3 Q96RI0 1/20 0.34
ASIC1 P78348 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RAD51 Q06609 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIF11 P52732 1/20 0.31
PTGS2 P35354 1/20 0.31
HDAC1 Q13547 1/20 0.31
LMNA P02545 1/20 0.31
LTA4H P09960 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL14445915 1.00 TOP1 (0.39) TOP1F2RL3ASIC1MAPTMEN1
SCHEMBL14445903 0.85 MAPT (0.36) F2RL3MAPTMEN1ALDH1A1KMT2A
SCHEMBL4685155 0.85 MAPT (0.36) F2RL3MAPTMEN1ALDH1A1KMT2A
SCHEMBL4685195 0.82 ASIC1 (0.47) F2RL3ASIC1MAPTMEN1ALDH1A1
SCHEMBL4685196 0.82 ASIC1 (0.47) F2RL3ASIC1MAPTMEN1ALDH1A1
SCHEMBL4681613 0.80 MAPT (0.40) F2RL3ASIC1MAPTALDH1A1NPC1
SCHEMBL4681607 0.80 MAPT (0.40) F2RL3ASIC1MAPTALDH1A1NPC1
SCHEMBL4679253 0.76 RAB9A (0.36) TOP1F2RL3ASIC1MAPTMEN1
SCHEMBL4679257 0.76 RAB9A (0.36) TOP1F2RL3ASIC1MAPTMEN1
SCHEMBL4679239 0.73 KDM4E (0.38) F2RL3MAPTMEN1ALDH1A1KMT2A

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 1713/4885F2RL3 833/4885ASIC1 1077/4885

“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.