SCHEMBL141885

SCHEMBL141885

CCN1CC[C@H](O)[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.38
ALDH1A1 P00352 2/20 0.37
GBA2 Q9HCG7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 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
SCHEMBL29980186 1.00 GBA1 (0.38) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
SCHEMBL8895914 1.00 GBA1 (0.38) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL4489522 0.98 GBA1 (0.37) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL28944195 0.98 GBA1 (0.37) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
SCHEMBL20999454 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2RAB9AHTT
SCHEMBL13973961 0.84 GBA1 (0.36) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
SCHEMBL19286910 0.84 SMN1; SMN2 (0.44) GBA1ALDH1A1GBA2SMN1; SMN2GAA
SCHEMBL12155329 0.84 GBA1 (0.51) GBA1GBA2SMN1; SMN2GAA
SCHEMBL12191642 0.84 GBA1 (0.51) GBA1GBA2SMN1; SMN2GAA
SCHEMBL8894199 0.84 GBA1 (0.51) GBA1GBA2SMN1; SMN2GAA

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 GBA1 1298/4885ALDH1A1 1678/4885GBA2 2116/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R GBA1 837/4885ALDH1A1 1655/4885GBA2 769/4885

“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.