SCHEMBL568359

SCHEMBL568359

CC[C@H](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
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.36
MAPT P10636 6/20 0.35
KMT2A Q03164 4/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
MEN1 O00255 3/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 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
SCHEMBL3439391 1.00 HTT (0.41) HTTALDH1A1NPSR1USP2ALOX15
SCHEMBL23781159 0.87 ALDH1A1 (0.38) HTTALDH1A1NPSR1USP2ALOX15
SCHEMBL23781161 0.87 ALDH1A1 (0.38) HTTALDH1A1NPSR1USP2ALOX15
SCHEMBL23781157 0.87 ALDH1A1 (0.38) HTTALDH1A1NPSR1USP2ALOX15
SCHEMBL568704 0.80 GRM4 (0.39) HTTALDH1A1NPSR1RAPGEF4MAPT
SCHEMBL9285181 0.80 GRM4 (0.39) HTTALDH1A1NPSR1RAPGEF4MAPT
SCHEMBL26952978 0.76 F11 (0.31)
SCHEMBL568960 0.74 PKM (0.46) HTTALDH1A1NPSR1USP2ALOX15
SCHEMBL568616 0.74 PKM (0.46) HTTALDH1A1NPSR1USP2ALOX15
SCHEMBL4937829 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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 HTT 4591/4885ALDH1A1 523/4885NPSR1 1054/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 HTT 4596/4885ALDH1A1 570/4885NPSR1 1238/4885

“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.