SCHEMBL4805550

SCHEMBL4805550

CC(=O)c1cc2c(COC[C@@H](O)CO)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.37
MAOB P27338 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
PPARG P37231 6/20 0.34
ALKBH1 Q13686 1/20 0.34
SCN9A Q15858 2/20 0.33
PTGER1 P34995 1/20 0.33
GRIN2B Q13224 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOD2 Q9HC29 1/20 0.33
CHRM1 P11229 1/20 0.32
MET P08581 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL4805539 1.00 FSCN1 (0.37) FSCN1MAOBMAPK14PTGDR2PPARG
SCHEMBL4807252 0.90 MAPK14 (0.38) FSCN1MAPK14PPARGALKBH1
SCHEMBL13986826 0.90 MAPK14 (0.38) FSCN1MAPK14PPARGALKBH1
SCHEMBL4807264 0.90 MAPK14 (0.38) FSCN1MAPK14PPARGALKBH1
SCHEMBL2945342 0.80 PTGER1 (0.42) FSCN1PTGDR2PPARGALKBH1PTGER1
SCHEMBL6222497 0.79 ALKBH1 (0.37) FSCN1MAPK14PTGDR2ALKBH1PTGER1
SCHEMBL2943243 0.78 ALDH1A1 (0.40) FSCN1PTGDR2ALKBH1PTGER1NPC1
SCHEMBL4809179 0.78 MAPK14 (0.39) FSCN1MAPK14GRIN2B
SCHEMBL1684271 0.78 FSCN1 (0.37) FSCN1MAOBMAPK14PTGDR2PPARG
SCHEMBL2943244 0.78 FSCN1 (0.40) FSCN1MAPK14PTGDR2PPARGALKBH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP FSCN1 4841/4885MAOB 979/4885MAPK14 2647/4885

“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.