SCHEMBL568119

SCHEMBL568119

CC/C(=N\[S+]([O-])C(C)(C)C)c1ccn(S(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 6/20 0.40
MAPT P10636 4/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
MEN1 O00255 3/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL3439392 1.00 ALDH1A1 (0.41) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL568507 0.76 KMT2A (0.49) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL3258659 0.75 PKM (0.46) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL23781233 0.73 ALDH1A1 (0.47) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL23781231 0.73 ALDH1A1 (0.47) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL23781232 0.73 ALDH1A1 (0.47) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL5271607 0.72 KMT2A (0.49) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL29808358 0.71 MAPT (0.48) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL22588443 0.69 KMT2A (0.52) ALDH1A1HTTUSP2ALOX15NPSR1
SCHEMBL5985449 0.68 KMT2A (0.41) ALDH1A1HTTUSP2ALOX15NPSR1

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-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
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP 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 ALDH1A1 523/4885HTT 4591/4885USP2 1630/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 570/4885HTT 4596/4885USP2 1716/4885

“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.