SCHEMBL2223340

SCHEMBL2223340

CC(C)(C)NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.41
MALT1 Q9UDY8 1/20 0.40
CXCR3 P49682 1/20 0.39
EPHX2 P34913 3/20 0.38
GPR6 P46095 1/20 0.38
MPL P40238 1/20 0.38
WNT3A P56704 2/20 0.37
F10 P00742 1/20 0.37
DRD4 P21917 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RORC P51449 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
SCHEMBL2222960 0.85 ACKR3 (0.44) CXCR3ALDH1A1
SCHEMBL2224894 0.84 IDH2 (0.46) CXCR3ALDH1A1
SCHEMBL2223364 0.84 CXCR3 (0.53) CXCR3
SCHEMBL2272108 0.84 CXCR3 (0.42) CXCR3
SCHEMBL2223250 0.84 CACNA1I (0.45) CXCR3ALDH1A1
SCHEMBL2224561 0.84 RORC (0.39) MALT1CXCR3GPR6F10ALDH1A1
SCHEMBL2222289 0.83 F10 (0.42) GPR6F10ALDH1A1
SCHEMBL2268312 0.83 GAA (0.45) CXCR3ALDH1A1
SCHEMBL2269849 0.82 CKS1B (0.42) CXCR3WNT3A
SCHEMBL2265078 0.81 ACKR3 (0.45) CXCR3ALDH1A1

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 8 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-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 ABL1 1696/4885MALT1 1463/4885CXCR3 1/4885

“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.