SCHEMBL567920

SCHEMBL567920

CS(=O)(=O)c1ccc(CNC=O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
ERCC1 P07992 2/20 0.36
ERCC4 Q92889 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC2A1 P11166 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ARG1 P05089 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL568849 0.79 SMN1; SMN2 (0.43) ADH1BADH1CADH1AADH7LMNA
SCHEMBL9090253 0.78 ARG1 (0.53) ADH1BADH1CADH1AADH7ERCC1
SCHEMBL25355184 0.76 TRPA1 (0.55) LMNAHPGDCA2
SCHEMBL3307756 0.73 TRPV1 (0.57) LMNA
SCHEMBL568156 0.73 ADH1B (0.53) ADH1BADH1CADH1AADH7CA1
SCHEMBL568564 0.71 ADH1B (0.52) ADH1BADH1CADH1AADH7HSD17B10
SCHEMBL30037244 0.70 ALDH1A1 (0.55) LMNAHPGD
SCHEMBL2780708 0.70 ALDH1A1 (0.55) LMNAHPGD
SCHEMBL568535 0.70 ADH1B (0.39) ADH1BADH1CADH1AADH7LMNA
SCHEMBL20526456 0.69 ALDH1A1 (0.54) LMNAHPGDHSD17B10

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-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ADH1B 2697/4885ADH1C 2423/4885ADH1A 2036/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ADH1B 2790/4885ADH1C 2439/4885ADH1A 2139/4885

“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.