SCHEMBL5115704

SCHEMBL5115704

CCCCOc1ccc(C(F)(F)F)cc1Cc1nc(C(=O)OCC)cs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
HSP90AA1 P07900 2/20 0.47
PPARD Q03181 8/20 0.44
PPARA Q07869 6/20 0.44
PPARG P37231 3/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
GAA P10253 1/20 0.42
PLA2G4A P47712 1/20 0.41
PTGER1 P34995 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TPH1 P17752 1/20 0.40
MMP13 P45452 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5117046 0.97 NPC1 (0.44) MAPTRAB9ANPC1HSP90AA1PPARD
SCHEMBL5117461 0.95 MAPT (0.45) MAPTRAB9ANPC1HSP90AA1PPARD
SCHEMBL5129650 0.90 PTGER1 (0.45) MAPTRAB9ANPC1HSP90AA1PPARD
SCHEMBL5129849 0.88 PTGER1 (0.55) MAPTRAB9ANPC1HSP90AA1GAA
SCHEMBL5131254 0.87 PTGER1 (0.55) PPARDPPARAPPARGPTGDR2PTGER1
SCHEMBL5125324 0.86 NPC1 (0.43) MAPTRAB9ANPC1HSP90AA1GAA
SCHEMBL4723594 0.86 PTGER1 (0.56) MAPTRAB9ANPC1HSP90AA1PTGER1
SCHEMBL5128854 0.85 MAPT (0.46) MAPTRAB9ANPC1HSP90AA1GAA
SCHEMBL5126958 0.85 MMP13 (0.53) MAPTRAB9ANPC1HSP90AA1PTGER1
SCHEMBL5125389 0.85 PTGER1 (0.54) PPARDPPARAPPARGPTGDR2PTGER1

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
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 MAPT 4703/4885RAB9A 4378/4885NPC1 3020/4885

“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.