SCHEMBL5771982

SCHEMBL5771982

[CH]=C(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SOAT1 P35610 1/20 0.34
PPARD Q03181 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4832633 0.78 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL10695181 0.76 GLO1 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL1446992 0.75 ALDH1A1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL18526563 0.75 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL30229854 0.73 GLO1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL6223936 0.73 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL9067107 0.73 GLO1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL2240528 0.73 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL10693331 0.72 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL14194415 0.72 CA12 (0.39) CA12CA1CA2CA9ALDH1A1

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 CA12 1695/4885CA1 1346/4885CA2 981/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CA12 2856/4885CA1 1498/4885CA2 988/4885

“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.