SCHEMBL2222237

SCHEMBL2222237

CS(=O)(=O)c1cnc(N2CCC(CC(=O)N3CCOCC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.50
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALB P02768 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
WDR5 P61964 1/20 0.41
IDH2 P48735 3/20 0.40
GPR6 P46095 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2223381 0.97 CXCR3 (0.48) CXCR3ATMSMN1; SMN2LMNAUSP2
SCHEMBL2265919 0.92 CXCR3 (0.51) CXCR3ATMSMN1; SMN2LMNATP53
SCHEMBL2270669 0.92 CXCR3 (0.51) CXCR3ATMSMN1; SMN2LMNAMAPT
SCHEMBL2274127 0.92 CXCR3 (0.51) CXCR3ATMSMN1; SMN2LMNAMAPT
SCHEMBL2272824 0.91 CXCR3 (0.50) CXCR3ATMSMN1; SMN2LMNAMAPK1
SCHEMBL2275758 0.90 CXCR3 (0.49) CXCR3ATMSMN1; SMN2LMNAMAPT
SCHEMBL14665452 0.90 CXCR3 (0.49) CXCR3ATMSMN1; SMN2LMNAUSP2
SCHEMBL2268823 0.89 CXCR3 (0.49) CXCR3ATMSMN1; SMN2LMNAMEN1
SCHEMBL2271655 0.89 CXCR3 (0.52) CXCR3ATMSMN1; SMN2LMNAMAPT
SCHEMBL2268437 0.89 CXCR3 (0.51) CXCR3ATMSMN1; SMN2LMNAUSP2

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 10 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-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
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
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885ATM 2840/4885SMN1; SMN2 4589/4885

“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.