SCHEMBL5776014

SCHEMBL5776014

OCc1cnoc1-c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
TDO2 P48775 2/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
NOTUM Q6P988 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GCGR P47871 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 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
SCHEMBL5770454 0.86 RPA1 (0.38) CYP11B1CYP11B2TDO2NOTUMKMO
SCHEMBL5772390 0.86 KMO (0.36) CYP11B1CYP11B2MEN1KMT2AKMO
SCHEMBL5773175 0.86 MEN1 (0.34) MEN1KMT2ACHRNB2CHRNA5CHRNA4
SCHEMBL5774745 0.85 CA2 (0.38) CYP11B1CYP11B2CYP17A1MEN1KMT2A
SCHEMBL5774121 0.81 TDO2 (0.47) MEN1KMT2ATDO2PPARARPS6KA3
SCHEMBL5774825 0.80 FFAR1 (0.42) PPARA
SCHEMBL5775491 0.78 PPARA (0.45) MEN1KMT2ATDO2PPARAHDAC1
SCHEMBL5774717 0.77 AHR (0.41) MEN1KMT2ANOTUMKMO
SCHEMBL5776120 0.76 TDO2 (0.49) TDO2NOTUM
SCHEMBL5773992 0.76 CCNC (0.43) CYP11B1CYP11B2MEN1KMT2APPARA

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 CYP11B1 10/4885CYP11B2 13/4885CYP17A1 199/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP11B1 9/4885CYP11B2 16/4885CYP17A1 202/4885

“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.