SCHEMBL5773931

SCHEMBL5773931

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
MAPK14 Q16539 3/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5773406 0.88 CCNC (0.44) CCNCCDK8MEN1KMT2AHDAC1
SCHEMBL5776975 0.87 KMT2A (0.49) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5773378 0.87 CYP11B1 (0.45) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5772543 0.87 CCNC (0.48) CYP11B1CYP11B2CCNCCDK8MEN1
SCHEMBL5776590 0.87 PPARA (0.47) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5773847 0.86 CCNC (0.47) CYP11B1CYP11B2CCNCCDK8CA12
SCHEMBL5771681 0.86 TRPV1 (0.43) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5773992 0.86 CCNC (0.43) CYP11B1CYP11B2CCNCCDK8MEN1
SCHEMBL5773233 0.85 CCNC (0.41) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5770267 0.84 CCNC (0.42) CCNCCDK8MEN1KMT2AHDAC1

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 CYP11B1 10/4885CYP11B2 13/4885CCNC 3936/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP11B1 9/4885CYP11B2 16/4885CCNC 3879/4885

“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.