SCHEMBL2269804

SCHEMBL2269804

CC(C)(C)NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cc(Cl)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.43
CXCR3 P49682 1/20 0.41
PSMB8 P28062 1/20 0.40
ANO1 Q5XXA6 7/20 0.38
IRAK4 Q9NWZ3 4/20 0.37
IRAK1 P51617 2/20 0.36
PTPN11 Q06124 1/20 0.36
DEGS1 O15121 1/20 0.35

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
SCHEMBL2265078 0.91 ACKR3 (0.45) CXCR3ANO1
SCHEMBL2223364 0.88 CXCR3 (0.53) CXCR3
SCHEMBL2272108 0.88 CXCR3 (0.42) CXCR3DEGS1
SCHEMBL2223250 0.88 CACNA1I (0.45) CXCR3DEGS1
SCHEMBL2222960 0.86 ACKR3 (0.44) CXCR3
SCHEMBL2222289 0.82 F10 (0.42) GPR6
SCHEMBL2269849 0.82 CKS1B (0.42) CXCR3
SCHEMBL2224894 0.82 IDH2 (0.46) CXCR3
SCHEMBL2268312 0.82 GAA (0.45) CXCR3
SCHEMBL2224561 0.81 RORC (0.39) GPR6CXCR3

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
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
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 GPR6 137/4885CXCR3 1/4885PSMB8 4701/4885

“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.