SCHEMBL4568027

SCHEMBL4568027

CCc1ccc(CC(=O)C(C)(C)C)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.38
KCNQ4 P56696 3/20 0.38
KCNQ5 Q9NR82 3/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK14 Q16539 1/20 0.37
BRD4 O60885 1/20 0.36
CNR2 P34972 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 1/20 0.34
SCN9A Q15858 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
SYK P43405 1/20 0.33
GAA P10253 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ATR Q13535 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
SCHEMBL4568021 0.85 CYP1A2 (0.43) PTGDR2BRD4RXFP1BRD9
SCHEMBL4568016 0.83 IDO1 (0.44) GAA
SCHEMBL4568020 0.83 PPARG (0.40) PPARGPPARAMAPK14BRD4CNR2
SCHEMBL4568014 0.82 SMN1; SMN2 (0.41) GAA
SCHEMBL4568009 0.80 NLRP3 (0.46) CYP17A1KCNQ4KCNQ5PPARGMAPK14
SCHEMBL12044500 0.75 HTT (0.47) KCNQ4KCNQ5GAAMTNR1AMTNR1B
SCHEMBL2773049 0.75 ATR (0.46) CYP17A1KCNQ4KCNQ5MAPK14RXFP1
SCHEMBL11658497 0.74 HPGD (0.47) GAA
SCHEMBL24498563 0.74 AAK1 (0.48) CNR2
SCHEMBL4568373 0.74 KMT2A (0.44) PPARGPPARAGAA

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP17A1 1315/4885KCNQ4 1730/4885KCNQ5 1097/4885

“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.