SCHEMBL2276047

SCHEMBL2276047

Cc1nc(N)ccc1/C=C/C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
AKR1B10 O60218 4/20 0.52
AKR1B1 P15121 4/20 0.52
CA12 O43570 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
HCAR2 Q8TDS4 1/20 0.51
TTR P02766 1/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.43
ALOX5 P09917 1/20 0.43
MET P08581 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL23425096 0.78 LMNA (0.65) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL3631323 0.78 ALDH1A1 (0.46) CA12CA7CA9CA14HCAR2
SCHEMBL12892831 0.76 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27894964 0.76 LMNA (0.58) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL1093081 0.76 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27894963 0.76 LMNA (0.58) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL2275787 0.76 GABRP (0.53) LMNACA4HCAR2ALDH1A1HDAC8
SCHEMBL2275790 0.76 GABRP (0.53) LMNACA4HCAR2ALDH1A1HDAC8
SCHEMBL27706190 0.75 LMNA (0.53) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27706189 0.75 LMNA (0.53) LMNAAKR1B10AKR1B1CA12CA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN 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-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 LMNA 3308/4885AKR1B10 2074/4885AKR1B1 1953/4885

“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.