SCHEMBL5772630

SCHEMBL5772630

CCOC(=O)c1cnoc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
TEAD2 Q15562 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NOTUM Q6P988 2/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
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
SCHEMBL5775425 0.92 CYP4F2 (0.45) ALOX5TEAD2CYP1A2CYP4F2CYP4A11
SCHEMBL5776433 0.89 SMN1; SMN2 (0.44) ALOX5TEAD2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL5774156 0.89 CYP4F2 (0.45) ALOX5TEAD2CYP1A2CYP4F2CYP4A11
SCHEMBL5775535 0.89 CYP4F2 (0.42) ALOX5TEAD2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL10668171 0.85 SMN1; SMN2 (0.52) ALOX5CYP1A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL5775490 0.84 ALOX5 (0.52) ALOX5CYP1A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL5770551 0.83 SMN1; SMN2 (0.44) CYP4F2CYP4A11SMN1; SMN2KDM4EALDH1A1
SCHEMBL5773388 0.82 TARBP2 (0.48) CYP1A2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5777151 0.82 USP2 (0.44) SMN1; SMN2KDM4EALDH1A1HPGDRAB9A
SCHEMBL5770512 0.81 MAPT (0.45) CYP4F2CYP4A11SMN1; SMN2KDM4EALDH1A1

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 5 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
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 US 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 ALOX5 985/4885TEAD2 4577/4885SLC6A2 2879/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALOX5 1281/4885TEAD2 4486/4885SLC6A2 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.