SCHEMBL5772111

SCHEMBL5772111

OCCCc1cnoc1-c1ccc(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
CYP2A6 P11509 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5774963 0.84 CYP2A6 (0.38) F10CYP2A6TRPV3KDM4EALDH1A1
SCHEMBL5773925 0.80 FFAR1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5772114 0.80 SIRT2 (0.31) SIRT2
SCHEMBL5777142 0.80 CYP2A6 (0.39) F10CYP2A6KDM4EALDH1A1HPGD
SCHEMBL5774934 0.76 RPS6KB2 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5774173 0.76 SIRT2 (0.52) SIRT2ALDH1A1
SCHEMBL5774165 0.73 ATM (0.39) SIRT2CYP2A6HPGDSMN1; SMN2
SCHEMBL5771241 0.73 SIRT2 (0.39) SIRT2
SCHEMBL5771560 0.72 SIRT2 (0.40) SIRT2
SCHEMBL5776248 0.72 TDO2 (0.45) SIRT2ALDH1A1

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 F10 1476/4885SIRT2 1426/4885CYP2A6 170/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 F10 1133/4885SIRT2 738/4885CYP2A6 180/4885

“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.