SCHEMBL5774934

SCHEMBL5774934

COC(=O)CCc1cnoc1-c1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.41
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
FFAR1 O14842 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
KAT2B Q92831 1/20 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
SCHEMBL5773925 0.84 FFAR1 (0.44) RPS6KB2KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL5772072 0.83 RPS6KB2 (0.37) RPS6KB2HPGDCCNCCDK8CYP11B1
SCHEMBL5773378 0.80 CYP11B1 (0.45) KDM4ECCNCCDK8ALDH1A1CYP11B1
SCHEMBL5776177 0.77 L3MBTL1 (0.43) RPS6KB2CCNCCDK8CYP11B1CYP11B2
SCHEMBL5776699 0.77 NOTUM (0.44) KDM4EHPGDCCNCCDK8NPC1
SCHEMBL5773242 0.77 CCNC (0.36) RPS6KB2CCNCCDK8KAT2B
SCHEMBL5773847 0.76 CCNC (0.47) RPS6KB2KDM4EHPGDCCNCCDK8
SCHEMBL5772111 0.76 F10 (0.37) KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL5773924 0.76 MAPT (0.44) KDM4ECCNCCDK8CYP11B1CYP11B2
SCHEMBL5772977 0.76 VEGFA (0.43) HPGDCCNCCDK8MAPTFFAR1

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 RPS6KB2 3023/4885KDM4E 3953/4885HPGD 1588/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RPS6KB2 3278/4885KDM4E 3347/4885HPGD 1307/4885

“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.