SCHEMBL10458649

SCHEMBL10458649

C[C@H]1CC[C@H](NC=O)C[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.50
ADH1A P07327 4/20 0.50
ADH1C P00326 3/20 0.41
ADH7 P40394 2/20 0.41
ADH4 P08319 1/20 0.40
MAPK8 P45983 3/20 0.33
MAPK9 P45984 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPK10 P53779 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL13447738 1.00 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL10458650 1.00 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL10459102 0.84 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL10459092 0.84 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL10457382 0.84 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL10457414 0.84 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL13447716 0.84 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL16984867 0.79 CA1 (0.39) MAPK8MAPK9ADORA3MAPK10CA1
SCHEMBL24876985 0.76 ADH1B (0.45) ADH1BADH1AADH1CADH7ADH4
SCHEMBL20678957 0.74

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
EP-2321272-B1 ORGANIC COMPOUNDS NABRIVA THERAPEUTICS AG (AT) 2016-04-20 EP disclosed
US-8222447-B2 Organic compounds NABRIVA THERAPEUTICS AG (AT) 2012-07-17 US disclosed
US-8222447-B2 Organic compounds NABRIVA THERAPEUTICS AG (AT) 2012-07-17 US disclosed
US-20110184022-A1 Organic Compounds NABRIVA THERAPEUTICS AG (AT) 2011-07-28 US disclosed
US-20110184022-A1 Organic Compounds NABRIVA THERAPEUTICS AG (AT) 2011-07-28 US disclosed
WO-2010025482-A1 ORGANIC COMPOUNDS NABRIVA THERAPEUTICS AG (AT) 2010-03-11 WO 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 (1 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-20110184022-A1 Organic Compounds AHR, MAFK, MAFG ADH1B 1362/4885ADH1A 884/4885ADH1C 1331/4885

“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.