SCHEMBL283254

SCHEMBL283254

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.48
HRH4 Q9H3N8 4/20 0.48
PLA2G2C Q5R387 1/20 0.43
PLA2G10 O15496 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 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
SCHEMBL288502 1.00 HRH3 (0.48) HRH3HRH4PLA2G2CPLA2G10NPC1
SCHEMBL26626453 1.00 HRH3 (0.48) HRH3HRH4PLA2G2CPLA2G10NPC1
SCHEMBL28044074 0.84 EPHX1 (0.47) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL282155 0.83 EPHX1 (0.44) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL5959811 0.83 EPHX1 (0.44) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL28044008 0.83 HRH3 (0.45) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL11533140 0.83 HRH3 (0.45) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL28787093 0.83 GABRP (0.45) PLA2G10SMN1; SMN2L3MBTL1
SCHEMBL7447157 0.83 FOLH1 (0.51)
SCHEMBL21359154 0.82 HRH3 (0.49) HRH3HRH4NPC1HPGDRAB9A

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 6 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
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 HRH3 139/4885HRH4 74/4885PLA2G2C 125/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 HRH3 111/4885HRH4 55/4885PLA2G2C 181/4885

“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.