SCHEMBL2272027

SCHEMBL2272027

CN(C(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)C1CCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.49
HSD11B1 P28845 2/20 0.41
HSD11B2 P80365 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
TNF P01375 1/20 0.37
THRB P10828 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
USP2 O75604 1/20 0.37
NPY5R Q15761 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
SCHEMBL2271642 1.00 CXCR3 (0.49) CXCR3HSD11B1HSD11B2KMT2AMEN1
SCHEMBL2277699 0.96 CXCR3 (0.51) CXCR3KMT2AMEN1ATMLMNA
SCHEMBL2268434 0.92 CXCR3 (0.42) CXCR3HSD11B1HSD11B2KMT2AMEN1
SCHEMBL2266630 0.89 CXCR3 (0.51) CXCR3KMT2AMEN1ATMLMNA
SCHEMBL2271646 0.87 CXCR3 (0.49) CXCR3KMT2AMEN1ATMLMNA
SCHEMBL2272031 0.87 CXCR3 (0.49) CXCR3KMT2AMEN1ATMLMNA
SCHEMBL12516595 0.87 CXCR3 (0.55) CXCR3KMT2AMEN1ATMLMNA
SCHEMBL2222132 0.86 CXCR3 (0.50) CXCR3HSD11B1KMT2AMEN1ATM
SCHEMBL2265919 0.86 CXCR3 (0.51) CXCR3KMT2AMEN1ATMLMNA
SCHEMBL2221730 0.85 CXCR3 (0.51) CXCR3HSD11B1KMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 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 (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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885HSD11B1 1634/4885HSD11B2 1953/4885

“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.