SCHEMBL1670536

SCHEMBL1670536

CS(=O)(=O)c1cc(C2(NOC(=O)C(F)(F)F)CC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
ADRB1 P08588 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN10A Q9Y5Y9 6/20 0.35
HDAC3 O15379 5/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
HDAC6 Q9UBN7 5/20 0.33
VNN1 O95497 1/20 0.32
SYK P43405 1/20 0.30

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
SCHEMBL13386460 0.81 HDAC6 (0.38) HDAC3HDAC1HDAC2HDAC6
SCHEMBL13386453 0.77 HDAC6 (0.35) HDAC3HDAC1HDAC2HDAC6
SCHEMBL1871882 0.75 CCR1 (0.46) CCR1ADRB1KCNH2SCN10AVNN1
SCHEMBL2432018 0.74 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC6VNN1
Trifluoroacetic Acid SCHEMBL1670534 0.73 CCR1 (0.38) CCR1ADRB1KCNH2SCN10A
SCHEMBL12002508 0.69 LMNA (0.45) CCR1ADRB1KCNH2SCN10ASYK
SCHEMBL1672692 0.68 LMNA (0.40) CCR1ADRB1KCNH2SCN10ASYK
SCHEMBL13386499 0.67 AKT1 (0.40) CCR1ADRB1KCNH2
SCHEMBL12669495 0.67 CCR1 (0.36) CCR1ADRB1KCNH2VNN1
SCHEMBL2986859 0.66 VNN1 (0.39) VNN1

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-9056858-B2 Indazole and pyrazolopyridine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-16 US disclosed
EP-2491028-B1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
CN-102666526-A Indazole and pyrazolopyridine compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2012-09-12 CN disclosed
EP-2491028-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
WO-2011049917-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO 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 (1 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-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 CCR1 1/4885ADRB1 31/4885KCNH2 979/4885

“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.