Sugi Predict

Sugi Predict / Compounds / SCHEMBL920139

SCHEMBL920139

SCHEMBL920139

CC1(C)COC(CSCC(=O)O)(c2ccc(Cl)cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 2/20 0.35
▸ CHRNA1 P02708 2/20 0.35
▸ CHRNG P07510 2/20 0.35
▸ CHRNB1 P11230 2/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ CHRND Q07001 2/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ CCR2 P41597 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ WDR91 A4D1P6 1/20 0.33

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
SCHEMBL918769 0.88 L3MBTL1 (0.40) ALDH1A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL919634 0.88 ALDH1A1 (0.38) ALDH1A1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL919210 0.85 ALDH1A1 (0.40) ALDH1A1GAACHRNA1CHRNGCHRNB1
SCHEMBL27685512 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1CHRNA1CHRNGCHRNB1
SCHEMBL920338 0.78 ALDH1A1 (0.36) ALDH1A1MAPK1CHRNA1CHRNGCHRNB1
SCHEMBL27704343 0.74 ALDH1A1 (0.33) ALDH1A1GAAMAPK1CHRNA1CHRNG
SCHEMBL12777503 0.73 GAA (0.45) ALDH1A1GAASLC6A4KDM4ELMNA
SCHEMBL28618351 0.72 SLC6A4 (0.39) ALDH1A1MAPK1CHRNA1CHRNGCHRNB1
SCHEMBL11231543 0.71 SLC6A4 (0.38) ALDH1A1MAPK1CHRNA1CHRNGCHRNB1
SCHEMBL27704338 0.69 ALDH1A1 (0.35) ALDH1A1GAAPOLBMAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 — — US disclosed
EP-1699759-B1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-10-20 — — EP disclosed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 — — US disclosed
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 — — US disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 — — EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 — — 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 (2 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-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 ALDH1A1 468/4885GAA 223/4885MAPK1 2612/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 ALDH1A1 468/4885GAA 223/4885MAPK1 2612/4885

“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.