SCHEMBL568564

SCHEMBL568564

CS(=O)(=O)c1cccc(CNC=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH7 P40394 1/20 0.52
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP19A1 P11511 3/20 0.44
GLA P06280 1/20 0.40
PTK2 Q05397 2/20 0.40
CCR1 P32246 1/20 0.40
DRD2 P14416 1/20 0.40
GLS O94925 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNQ3 O43525 3/20 0.39
KCNQ2 O43526 3/20 0.39

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
SCHEMBL8278304 0.81 ALDH1A1 (0.51) ALDH1A1GAAHSD17B10CYP19A1GLA
SCHEMBL8750958 0.80 ADH1B (0.71) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL19422111 0.79 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10CYP19A1GLA
SCHEMBL568156 0.79 ADH1B (0.53) ADH1BADH1CADH1AADH7
SCHEMBL5227068 0.79 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10GLADRD2
SCHEMBL27428927 0.77 CA2 (0.55) ALDH1A1GAAHSD17B10CYP19A1GLA
SCHEMBL14805811 0.77 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10CYP19A1GLA
SCHEMBL4930383 0.75 ALDH1A1 (0.65) ALDH1A1GAAHSD17B10CYP19A1CCR1
SCHEMBL5542783 0.75 ADH1B (0.59) ADH1BADH1CADH1AADH7CYP19A1
SCHEMBL14219016 0.75 ADH1B (0.59) ADH1BADH1CADH1AADH7CYP19A1

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 7 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-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 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
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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 (4 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX ADH1B 883/4885ADH1C 336/4885ADH1A 293/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 ADH1B 68/4885ADH1C 426/4885ADH1A 304/4885
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.