SCHEMBL5117046

SCHEMBL5117046

CCCCCOc1ccc(C(F)(F)F)cc1Cc1nc(C(=O)OCC)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
HSP90AA1 P07900 1/20 0.44
PPARD Q03181 6/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
GAA P10253 1/20 0.41
PTGER1 P34995 2/20 0.40
PLA2G4A P47712 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TPH1 P17752 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5115704 0.97 MAPT (0.47) NPC1MAPTRAB9AHSP90AA1PPARD
SCHEMBL5117461 0.94 MAPT (0.45) NPC1MAPTRAB9AHSP90AA1PPARD
SCHEMBL5129650 0.89 PTGER1 (0.45) NPC1MAPTRAB9AHSP90AA1PPARD
SCHEMBL5125389 0.88 PTGER1 (0.54) PPARDPPARAPPARGPTGER1PTGDR2
SCHEMBL5129849 0.87 PTGER1 (0.55) NPC1MAPTRAB9AHSP90AA1GAA
SCHEMBL4723594 0.85 PTGER1 (0.56) NPC1MAPTRAB9AHSP90AA1PTGER1
SCHEMBL5125324 0.85 NPC1 (0.43) NPC1MAPTRAB9AHSP90AA1GAA
SCHEMBL5131254 0.85 PTGER1 (0.55) PPARDPPARAPPARGPTGER1PTGDR2
SCHEMBL5126958 0.84 MMP13 (0.53) NPC1MAPTRAB9AHSP90AA1PTGER1
SCHEMBL5128854 0.84 MAPT (0.46) NPC1MAPTRAB9AHSP90AA1GAA

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 NPC1 3020/4885MAPT 4703/4885RAB9A 4378/4885

“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.