SCHEMBL5773233

SCHEMBL5773233

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PPARA Q07869 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL5773431 0.86 FFAR4 (0.45) CCNCCDK8FFAR1FFAR4PPARA
SCHEMBL5773406 0.86 CCNC (0.44) CCNCCDK8FFAR1KMT2AMEN1
SCHEMBL5772543 0.85 CCNC (0.48) CCNCCDK8KMT2AMEN1PPARA
SCHEMBL5776975 0.85 KMT2A (0.49) CCNCCDK8KMT2AMEN1ALDH1A1
SCHEMBL5776590 0.85 PPARA (0.47) CCNCCDK8KMT2AMEN1PPARA
SCHEMBL5773378 0.85 CYP11B1 (0.45) CCNCCDK8FFAR4ALDH1A1KDM4E
SCHEMBL5773931 0.85 CYP11B1 (0.44) CCNCCDK8FFAR1KMT2AMEN1
SCHEMBL5773847 0.84 CCNC (0.47) CCNCCDK8KMT2AMEN1ALDH1A1
SCHEMBL5771681 0.81 TRPV1 (0.43) CCNCCDK8FFAR1PPARASMN1; SMN2
SCHEMBL5770213 0.81 MAPT (0.44) CCNCCDK8KMT2AMEN1PPARA

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 3280/4885FFAR1 178/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CCNC 3879/4885CDK8 3137/4885FFAR1 90/4885

“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.