SCHEMBL919634

SCHEMBL919634

CC1(C)COC(CSCC(=O)O)(c2ccccc2)OC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
FFAR1 O14842 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
CYP1A2 P05177 4/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CDC25B P30305 1/20 0.33
CYP2C19 P33261 1/20 0.33
ICMT O60725 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.32

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 0.89 L3MBTL1 (0.40) ALDH1A1TSHRCHRNB2SLC6A2CHRNB4
SCHEMBL920139 0.88 ALDH1A1 (0.41) ALDH1A1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL919210 0.85 ALDH1A1 (0.40) ALDH1A1CYP1A2CHRNB2CHRNB4CHRNA3
SCHEMBL12777503 0.84 GAA (0.45) ALDH1A1TSHROPRM1KMT2AHSD17B10
SCHEMBL27704338 0.80 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19
SCHEMBL918509 0.76 POLB (0.38) ALDH1A1TSHRCHRNB2SLC6A2CHRNB4
SCHEMBL5709163 0.76 NPC1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL919237 0.76 NPC1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL27704339 0.75 APOBEC3A (0.36) ALDH1A1TSHROPRM1KMT2A
SCHEMBL2879218 0.72 CHRNB2 (0.36) TSHRCYP1A2OPRM1OPRL1CHRNB2

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 7 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
CN-101065354-A Diphenylazetidinone derivates possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2007-10-31 CN 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 468/4885TSHR 4612/4885FFAR1 1415/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 ALDH1A1 468/4885TSHR 4612/4885FFAR1 1415/4885

“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.