SCHEMBL282155

SCHEMBL282155

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 8/20 0.44
HRH4 Q9H3N8 4/20 0.44
ACHE P22303 6/20 0.43
ALDH1A1 P00352 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
SCHEMBL5959811 1.00 EPHX1 (0.44) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8972557 0.85 NPC1 (0.43) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8141872 0.85 NPC1 (0.43) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9830010 0.83 SMN1; SMN2 (0.42) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL288502 0.83 HRH3 (0.48) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL283254 0.83 HRH3 (0.48) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL26626453 0.83 HRH3 (0.48) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1840802 0.83 EPHX1 (0.44) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL15589935 0.82 EPHX1 (0.47) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1868926 0.82 EPHX1 (0.47) EPHX1NPC1HPGDRAB9ASMN1; SMN2

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 1767/4885NPC1 2947/4885HPGD 1265/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 EPHX1 1861/4885NPC1 3482/4885HPGD 1450/4885

“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.