SCHEMBL5772390

SCHEMBL5772390

OCc1cnoc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.36
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 0.33
CYP1A2 P05177 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
ABL1 P00519 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
FFAR1 O14842 1/20 0.32
LGALS3 P17931 1/20 0.32

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
SCHEMBL5770454 0.88 RPA1 (0.38) KMOCYP11B1CYP11B2KCNH2
SCHEMBL5776001 0.87 MEN1 (0.37) MEN1KMT2AKCNH2ABL1
SCHEMBL5776014 0.86 CYP11B1 (0.38) KMOCYP11B1CYP11B2TRPV1MEN1
SCHEMBL5774717 0.86 AHR (0.41) KMOMEN1KMT2A
SCHEMBL5773727 0.86 SIRT2 (0.37) KMOCYP11B1CYP11B2TRPV1MEN1
SCHEMBL5777173 0.82 NOTUM (0.36) MEN1KMT2A
SCHEMBL5773380 0.81 FFAR1 (0.45) KMOCYP11B1CYP11B2FFAR1
SCHEMBL5773175 0.79 MEN1 (0.34) MEN1KMT2ACYP1A2
SCHEMBL5774121 0.78 TDO2 (0.47) MEN1KMT2A
SCHEMBL5773927 0.78 CCNC (0.41) KMOCYP11B1CYP11B2TRPV1MEN1

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 KMO 1576/4885CYP11B1 10/4885CYP11B2 13/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KMO 1428/4885CYP11B1 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.