SCHEMBL284168

SCHEMBL284168

CCCCOC(=O)N[C@@H](CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ACHE P22303 7/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSK P43235 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL480292 1.00 EPHX1 (0.46) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL1077922 0.88 NOD1 (0.48) EPHX1ACHEITGB3ITGA2BCTSK
SCHEMBL284211 0.88 ITGB3 (0.46) EPHX1ACHEALDH1A1ITGB3ITGA2B
SCHEMBL3655323 0.88 ITGB3 (0.46) EPHX1ACHEALDH1A1ITGB3ITGA2B
SCHEMBL283288 0.88 ITGB3 (0.46) EPHX1ACHEALDH1A1ITGB3ITGA2B
SCHEMBL7382637 0.88 NOD1 (0.48) EPHX1ACHEITGB3ITGA2BCTSK
SCHEMBL5765667 0.88 TGFBR1 (0.47) EPHX1ACHEALDH1A1
SCHEMBL2332506 0.88 TGFBR1 (0.47) EPHX1ACHEALDH1A1
SCHEMBL1840799 0.88 TGFBR1 (0.47) EPHX1ACHEALDH1A1
SCHEMBL4592659 0.86 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1

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-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-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

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 EPHX1 1767/4885ACHE 2294/4885ALDH1A1 1934/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 EPHX1 1861/4885ACHE 2990/4885ALDH1A1 2376/4885

“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.