SCHEMBL5733742

SCHEMBL5733742

COP(=O)(CC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ KMT2A Q03164 4/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ GAA P10253 3/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL19049436 0.82 TSHR (0.68) NPC1TSHRRECQLKMT2AMAPK1
SCHEMBL10176094 0.80 KMT2A (0.71) NPC1TSHRRECQLKMT2AMAPK1
SCHEMBL7321050 0.78 KMT2A (0.80) TSHRRECQLKMT2AMAPK1MEN1
SCHEMBL28283475 0.78 TSHR (0.77) NPC1TSHRRECQLKMT2AMAPK1
SCHEMBL14696868 0.77 MAPK1 (0.71) TSHRRECQLKMT2AMAPK1MEN1
SCHEMBL28145081 0.77 KMT2A (0.71) TSHRRECQLKMT2AMAPK1MEN1
SCHEMBL13702427 0.77 SMN1; SMN2 (0.78) TSHRRECQLKMT2AMAPK1MEN1
SCHEMBL30005696 0.77 MAPT (0.76) NPC1TSHRRECQLKMT2AMAPK1
SCHEMBL34841 0.77 MAPT (0.76) NPC1TSHRRECQLKMT2AMAPK1
SCHEMBL2850336 0.76 GAA (0.74) NPC1TSHRRECQLKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409455-B1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2006-01-04 — — EP disclosed
US-6900336-B2 8-aza-11-deoxy prostaglandin analogues SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 — — EP disclosed
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction SYNTEX (U.S.A.) LLC 2003-06-26 — — US disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 — — WO 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-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction PTGER4, FFAR4, PTGER1 NPC1 918/4885TSHR 272/4885RECQL 4039/4885

“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.

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