SCHEMBL2270058

SCHEMBL2270058

CS(=O)(=O)c1cnc(N2CCC(CC(=O)NC[C@H]3CCCO3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2338278 1.00 CXCR3 (0.47) CXCR3KMT2AMEN1MAPTALDH1A1
SCHEMBL2280084 1.00 CXCR3 (0.47) CXCR3KMT2AMEN1MAPTALDH1A1
SCHEMBL2277700 0.90 CXCR3 (0.51) CXCR3KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2272031 0.89 CXCR3 (0.49) CXCR3KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2271646 0.89 CXCR3 (0.49) CXCR3KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2265587 0.88 CXCR3 (0.49) CXCR3KMT2AMEN1MAPTALDH1A1
SCHEMBL2221634 0.87 CXCR3 (0.52) CXCR3KMT2AMEN1MAPTALDH1A1
SCHEMBL2223102 0.85 CXCR3 (0.50) CXCR3KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2224637 0.85 CXCR3 (0.51) CXCR3KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2269178 0.85 CXCR3 (0.53) CXCR3KMT2AMEN1MAPTALDH1A1

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 1/4885KMT2A 3936/4885MEN1 3640/4885

“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.