SCHEMBL567741

SCHEMBL567741

CC[C@H](N)c1ccc(Br)n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 4/20 0.37
CXCL8 P10145 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
PKM P14618 2/20 0.36
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALDH3A1 P30838 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AGTR1 P30556 2/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL3464150 0.76 CA1 (0.45) KDM4EL3MBTL1RAPGEF4MAPTGAA
SCHEMBL568211 0.76 CA1 (0.45) KDM4EL3MBTL1RAPGEF4MAPTGAA
SCHEMBL25426534 0.74 CA1 (0.47) LMNAKDM4ETSHRL3MBTL1MAPT
SCHEMBL8514021 0.73 CA1 (0.42) LMNAKDM4ETSHRL3MBTL1RAPGEF4
SCHEMBL568357 0.70 RAPGEF4 (0.42) KDM4ETSHRL3MBTL1RAPGEF4MAPT
SCHEMBL567709 0.69 KMT2A (0.48) KDM4EL3MBTL1RAPGEF4MAPTGAA
SCHEMBL2186662 0.69 KMT2A (0.48) KDM4EL3MBTL1RAPGEF4MAPTGAA
SCHEMBL568307 0.68 CA1 (0.49) LMNARAPGEF4MAPTGAACA2
SCHEMBL568619 0.68 CA1 (0.49) LMNARAPGEF4MAPTGAACA2
SCHEMBL15244096 0.67 RAPGEF4 (0.44) LMNAKDM4ETSHRL3MBTL1RAPGEF4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 LMNA 4848/4885KDM4E 2535/4885TSHR 1193/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4848/4885KDM4E 2535/4885TSHR 1193/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 LMNA 3632/4885KDM4E 4454/4885TSHR 3668/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4838/4885KDM4E 2530/4885TSHR 1157/4885

“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.