SCHEMBL2265449

SCHEMBL2265449

CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCCc3ccc(F)cc3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.50
IDO1 P14902 3/20 0.41
ALDH1A1 P00352 1/20 0.39
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CCR3 P51677 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2273750 0.93 CXCR3 (0.49) CXCR3IDO1SMN1; SMN2LMNAKMT2A
SCHEMBL2221613 0.88 CXCR3 (0.49) CXCR3F10
SCHEMBL2270311 0.88 CXCR3 (0.49) CXCR3SMN1; SMN2LMNAKMT2A
SCHEMBL2276600 0.88 CXCR3 (0.49) CXCR3SMN1; SMN2LMNATDP1MEN1
SCHEMBL2221634 0.87 CXCR3 (0.52) CXCR3ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2270050 0.87 CXCR3 (0.52) CXCR3SMN1; SMN2LMNATDP1F10
SCHEMBL2277700 0.87 CXCR3 (0.51) CXCR3SMN1; SMN2LMNAF10MEN1
SCHEMBL2220943 0.86 CXCR3 (0.46) CXCR3SMN1; SMN2LMNATDP1F10
SCHEMBL2275511 0.86 CXCR3 (0.49) CXCR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL2269178 0.86 CXCR3 (0.53) CXCR3ALDH1A1SMN1; SMN2LMNAMEN1

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
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

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 1/4885IDO1 735/4885ALDH1A1 1792/4885

“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.