Sugi Predict

Sugi Predict / Compounds / SCHEMBL265222

SCHEMBL265222

SCHEMBL265222

C/C=C/C(=O)N(CC(=O)O)CC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SOAT1 P35610 1/20 0.32
▸ GSTO1 P78417 1/20 0.31

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
SCHEMBL265272 0.93 CA12 (0.43) CA12CA1CA2CA9MGAM
SCHEMBL264900 0.84 TDP1 (0.35) CYP3A4LMNANPC1L3MBTL1
SCHEMBL22045347 0.80 NPC1 (0.32) NPC1L3MBTL1
SCHEMBL17666080 0.78 NPC1 (0.42) ALDH1A1SMN1; SMN2CYP3A4LMNANPC1
SCHEMBL17666075 0.78 NPC1 (0.42) ALDH1A1SMN1; SMN2CYP3A4LMNANPC1
SCHEMBL11626548 0.75 GAA (0.52) CA12CA1CA2CA9MGAM
SCHEMBL14016335 0.75 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL20326163 0.73 PSMB5 (0.33) CYP3A4LMNANPC1L3MBTL1
SCHEMBL16281562 0.73 CA12 (0.44) CA12CA1CA2CA9MGAM
SCHEMBL22204371 0.72 CYP3A4 (0.33) CYP3A4LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 CA12 3007/4885CA1 4618/4885CA2 1044/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 CA12 2887/4885CA1 4324/4885CA2 595/4885

“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.