Sugi Predict

Sugi Predict / Compounds / SCHEMBL5736243

SCHEMBL5736243

SCHEMBL5736243

CC(C)(C)OC(=O)n1ccc2cc(CCCCCOS(C)(=O)=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 2/20 0.45
▸ S1PR1 P21453 1/20 0.43
▸ NR1H2 P55055 10/20 0.39
▸ PIK3CD O00329 2/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ HCK P08631 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ MTOR P42345 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ EPHB4 P54760 2/20 0.37
▸ PRKDC P78527 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ NR1H3 Q13133 3/20 0.35
▸ PLA2G4A P47712 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL5746834 0.85 NR1H2 (0.50) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL1056456 0.80 NR1H2 (0.46) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL10820368 0.80 OXER1 (0.48) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL3033379 0.79 HTR6 (0.48) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL31370744 0.79 NR1H2 (0.45) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL28961481 0.78 OXER1 (0.43) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL28485964 0.78 NR1H2 (0.55) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL6099616 0.78 NR1H2 (0.49) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL28967316 0.78 OXER1 (0.40) OXER1S1PR1NR1H2PIK3CDABL1
SCHEMBL30137211 0.78 OXER1 (0.40) OXER1S1PR1NR1H2PIK3CDABL1

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
EP-1349833-B1 INDOLE AND DIHYDROINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 — — EP disclosed
US-6503907-B2 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2003-01-07 — — US disclosed
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 — — 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-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 OXER1 115/4885S1PR1 2717/4885NR1H2 56/4885

“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.