SCHEMBL568130

SCHEMBL568130

CC(C)(C)C(NC(=O)O)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.38
CYP3A4 P08684 1/20 0.37
SYK P43405 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 8/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL2169562 0.80 CCR1 (0.50) CCR1CYP3A4LMNAALDH1A1
SCHEMBL68420 0.79 SMARCA2 (0.41) MEN1LMNAMAPK1KMT2APDE2A
SCHEMBL17000205 0.71 CCR1 (0.36) CCR1CYP3A4CHRNA7
SCHEMBL568611 0.71 CCR1 (0.46) CCR1CYP3A4MEN1LMNAMAPK1
SCHEMBL10284897 0.71 CHRNA7 (0.40) CCR1CYP3A4KMT2AALDH1A1CHRNA7
SCHEMBL12541474 0.70 SMN1; SMN2 (0.42) CYP3A4MEN1LMNAMAPK1KMT2A
SCHEMBL16989064 0.69 RECQL (0.38) MEN1LMNAMAPK1KMT2APDE2A
SCHEMBL1347639 0.69 LMNA (0.37) MEN1LMNAMAPK1KMT2A
SCHEMBL3466756 0.68 CCR1 (0.36) CCR1CYP3A4SCN10ACHRNA7
SCHEMBL3126403 0.68 CCR1 (0.36) CCR1CYP3A4SCN10ACHRNA7

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 CCR1 1/4885CYP3A4 2075/4885SYK 4291/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CCR1 1/4885CYP3A4 1936/4885SYK 4169/4885

“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.