SCHEMBL5129716

SCHEMBL5129716

CCOC(=O)c1csc(Cc2cc(C(F)(F)F)ccc2OCC2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TPH1 P17752 1/20 0.40
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CTSK P43235 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5120726 0.99 PTGER1 (0.42) PTGER1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5125554 0.97 NPC1 (0.41) PTGER1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5125324 0.96 NPC1 (0.43) PTGER1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5117492 0.87 PTGER1 (0.53) PTGER1SCN8ASCN10AELANEPTGDR2
SCHEMBL5131361 0.86 PTGER1 (0.52) PTGER1SCN8ASCN10AELANEPTGDR2
SCHEMBL4723489 0.86 PTGER1 (0.55) PTGER1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5117461 0.85 MAPT (0.45) PTGER1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5125663 0.84 PTGER1 (0.50) PTGER1SCN8ASCN10APTGDR2
SCHEMBL5115704 0.84 MAPT (0.47) PTGER1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5117046 0.83 NPC1 (0.44) PTGER1NPC1MAPTRAB9AHSP90AA1

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 PTGER1 1/4885SMN1; SMN2 2693/4885NPC1 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.