SCHEMBL5776590

SCHEMBL5776590

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 2/20 0.40
TP53 P04637 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.39
EGFR P00533 1/20 0.39
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38

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) PPARACCNCCDK8ALDH1A1MAPT
SCHEMBL5776975 0.87 KMT2A (0.49) CYP11B1CYP11B2CCNCCDK8HPGD
SCHEMBL5772543 0.87 CCNC (0.48) PPARACYP11B1CYP11B2CCNCCDK8
SCHEMBL5773931 0.87 CYP11B1 (0.44) PPARACYP11B1CYP11B2CCNCCDK8
SCHEMBL5773378 0.87 CYP11B1 (0.45) CYP11B1CYP11B2CCNCCDK8ALDH1A1
SCHEMBL5773847 0.86 CCNC (0.47) CYP11B1CYP11B2CCNCCDK8HPGD
SCHEMBL5773233 0.85 CCNC (0.41) PPARACYP11B1CYP11B2CCNCCDK8
SCHEMBL5771681 0.84 TRPV1 (0.43) PPARACYP11B1CYP11B2CCNCCDK8
SCHEMBL5773992 0.84 CCNC (0.43) PPARACYP11B1CYP11B2CCNCCDK8
SCHEMBL5776861 0.83 PPARA (0.48) PPARACCNCCDK8HPGDALDH1A1

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 PPARA 602/4885CYP11B1 10/4885CYP11B2 13/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PPARA 247/4885CYP11B1 9/4885CYP11B2 16/4885

“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.