SCHEMBL5773924

SCHEMBL5773924

COC(=O)CCc1cnoc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
EGFR P00533 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GAA P10253 1/20 0.40
ALPL P05186 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
TSHR P16473 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL5776254 0.91 MAPT (0.42) MAPTEGFRCCNCCDK8CYP1A2
SCHEMBL5774926 0.85 TP53 (0.44) ALPLTSHR
SCHEMBL5773378 0.83 CYP11B1 (0.45) MAPTEGFRCCNCCDK8CYP11B1
SCHEMBL5772977 0.81 VEGFA (0.43) MAPTEGFRCCNCCDK8CYP1A2
SCHEMBL5776177 0.80 L3MBTL1 (0.43) MAPTEGFRCCNCCDK8CYP11B1
SCHEMBL5776699 0.80 NOTUM (0.44) MAPTCCNCCDK8KDM4ESLC6A3
SCHEMBL5777338 0.79 CCNC (0.41) MAPTCCNCCDK8CYP11B1CYP11B2
SCHEMBL5775001 0.79 CCNC (0.42) MAPTCCNCCDK8CYP11B1CYP11B2
SCHEMBL5773883 0.79 CCNC (0.40) MAPTCCNCCDK8CYP11B1CYP11B2
SCHEMBL5776428 0.77 SIRT2 (0.39) CYP1A2CYP3A4CYP2C19ALPL

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 MAPT 4701/4885EGFR 2855/4885CCNC 3936/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885EGFR 2029/4885CCNC 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.