SCHEMBL5773992

SCHEMBL5773992

COC(=O)CCc1cnoc1-c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MIF P14174 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
PPARA Q07869 1/20 0.36
FFAR1 O14842 3/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
GABRA5 P31644 3/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RPS6KB2 Q9UBS0 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
SCHEMBL5777338 0.90 CCNC (0.41) CCNCCDK8MIFMEN1KMT2A
SCHEMBL5773927 0.90 CCNC (0.41) CCNCCDK8MIFMEN1KMT2A
SCHEMBL5775587 0.90 CCNC (0.41) CCNCCDK8MIFMEN1KMT2A
SCHEMBL5773931 0.86 CYP11B1 (0.44) CCNCCDK8MEN1KMT2APPARA
SCHEMBL5774825 0.85 FFAR1 (0.42) CCNCCDK8PPARAFFAR1
SCHEMBL5776590 0.84 PPARA (0.47) CCNCCDK8MEN1KMT2APPARA
SCHEMBL5773378 0.84 CYP11B1 (0.45) CCNCCDK8CYP11B1CYP11B2MAPT
SCHEMBL5776699 0.83 NOTUM (0.44) CCNCCDK8MEN1KMT2ATP53
SCHEMBL5776982 0.83 MAPK1 (0.44) CCNCCDK8MEN1KMT2AMAPK1
SCHEMBL5773406 0.82 CCNC (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 3280/4885MIF 3361/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CCNC 3879/4885CDK8 3137/4885MIF 3127/4885

“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.