SCHEMBL5773362

SCHEMBL5773362

COC(=O)CCc1cnoc1-c1ccc(Cl)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PPARA Q07869 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
EGFR P00533 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHEK1 O14757 1/20 0.32
FFAR1 O14842 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
SCHEMBL5776699 0.90 NOTUM (0.44) CCNCCDK8MEN1KMT2AL3MBTL1
SCHEMBL5775001 0.88 CCNC (0.42) CCNCCDK8PPARACYP11B1CYP11B2
SCHEMBL5773927 0.86 CCNC (0.41) CCNCCDK8PPARACYP11B1CYP11B2
SCHEMBL5775587 0.86 CCNC (0.41) CCNCCDK8PPARACYP11B1CYP11B2
SCHEMBL5777600 0.86 RXRA (0.42) CCNCCDK8PPARAMAPTKDM4E
SCHEMBL5777338 0.84 CCNC (0.41) CCNCCDK8PPARACYP11B1CYP11B2
SCHEMBL5773378 0.83 CYP11B1 (0.45) CCNCCDK8CYP11B1CYP11B2POLB
SCHEMBL5776590 0.83 PPARA (0.47) CCNCCDK8PPARACYP11B1CYP11B2
SCHEMBL5772977 0.81 VEGFA (0.43) CCNCCDK8MEN1KMT2AMAPT
SCHEMBL5776177 0.81 L3MBTL1 (0.43) CCNCCDK8CYP11B1CYP11B2MEN1

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 3280/4885PPARA 602/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CCNC 3879/4885CDK8 3137/4885PPARA 247/4885

“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.