SCHEMBL919210

SCHEMBL919210

COc1ccc(C2(CSCC(=O)O)OCC(C)(C)CO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37
KMT2A Q03164 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL918769 0.86 L3MBTL1 (0.40) ALDH1A1HSD11B1CHRNA1CHRNGCHRNB1
SCHEMBL919634 0.85 ALDH1A1 (0.38) ALDH1A1CYP1A2CHRNB2CHRNB4CHRNA3
SCHEMBL920139 0.85 ALDH1A1 (0.41) ALDH1A1GAAHSD11B1CHRNA1CHRNG
SCHEMBL919334 0.79 LDHA (0.35) ALDH1A1HSD11B1CHRNA1CHRNGCHRNB1
SCHEMBL5709096 0.77 GRIN1 (0.37) ALDH1A1KMT2AGRIN1GRIN2BMAPT
SCHEMBL919710 0.77 GRIN1 (0.37) ALDH1A1KMT2AGRIN1GRIN2BMAPT
SCHEMBL28611458 0.74 CHRNA1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL11246464 0.72 GRIN1 (0.40) ALDH1A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7879750 0.70 GRIN1 (0.43) ALDH1A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL11248824 0.69 GRIN1 (0.43) ALDH1A1CHRNA1CHRNGCHRNB1CHRNB2

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 223/4885HSD11B1 44/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 ALDH1A1 468/4885GAA 223/4885HSD11B1 44/4885

“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.