SCHEMBL567906

SCHEMBL567906

CC[C@H](N[S+]([O-])C(C)(C)C)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.40
CYP3A4 P08684 1/20 0.40
SCN1A P35498 5/20 0.32
SCN5A Q14524 5/20 0.32
SCN8A Q9UQD0 5/20 0.32
HRH4 Q9H3N8 1/20 0.31
SCN1B Q07699 1/20 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
SCHEMBL3439408 1.00 CCR1 (0.40) CCR1CYP3A4SCN1ASCN5ASCN8A
SCHEMBL568673 0.84 CCR1 (0.37) CCR1CYP3A4
SCHEMBL3439419 0.84 CCR1 (0.37) CCR1CYP3A4
SCHEMBL3439422 0.81 CCR1 (0.37) CCR1
SCHEMBL568514 0.81 CCR1 (0.37) CCR1
SCHEMBL568001 0.81 CCR1 (0.34) CCR1
SCHEMBL3439407 0.80 AR (0.34)
SCHEMBL568395 0.80 AR (0.34)
SCHEMBL13622740 0.80 NOS3 (0.37)
SCHEMBL30770755 0.80 AR (0.34)

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 5 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

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 CCR1 1/4885CYP3A4 2075/4885SCN1A 2469/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CCR1 1/4885CYP3A4 1936/4885SCN1A 2649/4885

“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.