SCHEMBL5772543

SCHEMBL5772543

COC(=O)CCc1cnoc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTPN1 P18031 2/20 0.40
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
LTB4R Q15722 1/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
PPARA Q07869 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38

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
SCHEMBL5773847 0.97 CCNC (0.47) CCNCCDK8CYP11B1CYP11B2PTPN1
SCHEMBL5773406 0.88 CCNC (0.44) CCNCCDK8KDM4EMEN1GAA
SCHEMBL5773931 0.87 CYP11B1 (0.44) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5776975 0.87 KMT2A (0.49) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5773378 0.87 CYP11B1 (0.45) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5776590 0.87 PPARA (0.47) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5774948 0.85 FFAR1 (0.51) CCNCCDK8PTGS1KDM4ETSHR
SCHEMBL5773233 0.85 CCNC (0.41) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5771681 0.84 TRPV1 (0.43) CCNCCDK8CYP11B1CYP11B2PPARA
SCHEMBL5770213 0.83 MAPT (0.44) CCNCCDK8MEN1KMT2APPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CCNC 3936/4885CDK8 3280/4885CYP11B1 10/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CCNC 3879/4885CDK8 3137/4885CYP11B1 9/4885

“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.