SCHEMBL5773378

SCHEMBL5773378

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
FFAR4 Q5NUL3 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
TSHR P16473 1/20 0.39
TBXAS1 P24557 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 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) CCNCCDK8MAPTKDM4EALDH1A1
SCHEMBL5776177 0.87 L3MBTL1 (0.43) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5776975 0.87 KMT2A (0.49) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5776590 0.87 PPARA (0.47) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5772543 0.87 CCNC (0.48) CYP11B1CYP11B2CCNCCDK8MAPT
SCHEMBL5773931 0.87 CYP11B1 (0.44) CYP11B1CYP11B2CCNCCDK8LMNA
SCHEMBL5773847 0.86 CCNC (0.47) CYP11B1CYP11B2CCNCCDK8KDM4E
SCHEMBL5776699 0.86 NOTUM (0.44) CCNCCDK8LMNAMAPTKDM4E
SCHEMBL5777338 0.86 CCNC (0.41) CYP11B1CYP11B2CCNCCDK8MAPT
SCHEMBL5775001 0.85 CCNC (0.42) CYP11B1CYP11B2CCNCCDK8MAPT

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.