SCHEMBL5774923

SCHEMBL5774923

CCOC(=O)c1conc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD2 Q15562 1/20 0.54
ALOX5 P09917 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 2/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP1A2 P05177 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
FTO Q9C0B1 1/20 0.42

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
SCHEMBL5773232 0.89 TEAD2 (0.46) TEAD2JAK2JAK3CYP4F2CYP4A11
SCHEMBL5771314 0.89 TEAD2 (0.48) TEAD2JAK2JAK3CYP4F2CYP4A11
SCHEMBL2929533 0.85 SMN1; SMN2 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2GABRA2
SCHEMBL11395576 0.84 JAK2 (0.55) ALOX5JAK2JAK3KDM4EALDH1A1
SCHEMBL8163709 0.81 TSHR (0.44) JAK2JAK3CYP4F2CYP4A11KDM4E
SCHEMBL1776614 0.80 KDM4E (0.51) ALOX5KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5772148 0.80 ALDH1A1 (0.53) JAK2JAK3KDM4EALDH1A1HPGD
SCHEMBL11396935 0.80 ALDH1A1 (0.56) JAK2JAK3KDM4EALDH1A1HPGD
SCHEMBL5769963 0.79 MEN1 (0.41) TEAD2JAK2JAK3KDM4EALDH1A1
SCHEMBL3978092 0.79 JAK2 (0.55) JAK2JAK3KDM4EALDH1A1HPGD

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 TEAD2 4577/4885ALOX5 985/4885SLC6A2 2879/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TEAD2 4486/4885ALOX5 1281/4885SLC6A2 3002/4885

“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.