SCHEMBL28645288

SCHEMBL28645288

CC(C)(C)OC(=O)Nc1cc(Cc2ccc(C=O)cc2)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
MAPK14 Q16539 1/20 0.39
DRD2 P14416 1/20 0.37
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PPARG P37231 3/20 0.35
PTGER1 P34995 2/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
CYP2C9 P11712 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
PPARA Q07869 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NPC1 O15118 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
SCHEMBL20132284 0.81 CYP17A1 (0.45) CYP17A1MAPK14KDM4EKMT2AALDH1A1
SCHEMBL13345457 0.76 PPARG (0.40) CYP17A1KMT2AALDH1A1PPARGPPARA
SCHEMBL29768878 0.74 CYP17A1 (0.51) CYP17A1MAPK14PPARGMMP1MMP2
SCHEMBL20132103 0.74 CYP17A1 (0.51) CYP17A1MAPK14PPARGMMP1MMP2
SCHEMBL20748365 0.73 KDM4E (0.52) KDM4EKMT2AALDH1A1MMP1MMP2
SCHEMBL31359170 0.71 KDM4E (0.44) KDM4EKMT2AALDH1A1CYP2C9NPC1
SCHEMBL6162530 0.71 CA12 (0.38) CYP17A1KDM4E
SCHEMBL24622540 0.70 CYP17A1 (0.44) CYP17A1MAPK14KDM4ENPC1RECQL
SCHEMBL6478595 0.70 HPGD (0.44) CYP17A1KDM4EALDH1A1KCNQ4KCNQ5
SCHEMBL25128919 0.69 CYP17A1 (0.57) CYP17A1MAPK14DRD2PPARGPPARA

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-20220354959-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2022-11-10 US disclosed
CN-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 CN 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-20220354959-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R CYP17A1 256/4885MAPK14 1917/4885DRD2 1692/4885

“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.