SCHEMBL1802802

SCHEMBL1802802

COC[C@@H](C(C)C)N(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
GLS O94925 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
PTGES O14684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC7A5 Q01650 1/20 0.32
HDAC1 Q13547 1/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1802799 1.00 CYP4F2 (0.39) CYP4F2CYP4A11GLSCYP2D6CYP2C9
SCHEMBL1803711 0.89 CYP4F2 (0.40) CYP4F2CYP4A11GLSCYP2D6CYP2C9
SCHEMBL1802570 0.89 CYP4F2 (0.40) CYP4F2CYP4A11GLSCYP2D6CYP2C9
SCHEMBL1799271 0.87 SLC7A5 (0.34) GLSCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1799269 0.87 SLC7A5 (0.34) GLSCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1802422 0.85 CYP4F2 (0.38) CYP4F2CYP4A11GLSCYP2D6CYP2C9
SCHEMBL1803069 0.85 CYP4F2 (0.42) CYP4F2CYP4A11GLSPTGESNR1H2
SCHEMBL1798529 0.85 CYP4F2 (0.39) CYP4F2CYP4A11GLSALDH1A1CA2
SCHEMBL1799283 0.80 CYP4F2 (0.38) CYP4F2CYP4A11CYP2D6CYP2C9CYP2C19
SCHEMBL1800114 0.77 CYP4F2 (0.42) CYP4F2CYP4A11GLSCYP2D6PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 CYP4F2 1476/4885CYP4A11 459/4885GLS 4102/4885

“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.