SCHEMBL2222960

SCHEMBL2222960

CC(C)(C)NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.44
KDM4E B2RXH2 2/20 0.41
CXCR3 P49682 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
IDH2 P48735 2/20 0.36
ENPP1 P22413 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF18A Q8NI77 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
SCHEMBL2222289 0.93 F10 (0.42) ACKR3KDM4EALDH1A1ENPP1LMNA
SCHEMBL2269849 0.93 CKS1B (0.42) ACKR3CXCR3CKS1BSKP1SKP2
SCHEMBL2268312 0.90 GAA (0.45) ACKR3KDM4ECXCR3ALDH1A1CKS1B
SCHEMBL2223250 0.90 CACNA1I (0.45) CXCR3ALDH1A1SCN10A
SCHEMBL2272108 0.88 CXCR3 (0.42) ACKR3CXCR3SCN10AIDH2KMT2A
SCHEMBL2223364 0.88 CXCR3 (0.53) ACKR3CXCR3IDH2LMNAKMT2A
SCHEMBL2224894 0.88 IDH2 (0.46) ACKR3KDM4ECXCR3ALDH1A1SCN10A
SCHEMBL2269804 0.86 GPR6 (0.43) CXCR3
SCHEMBL2223340 0.85 ABL1 (0.41) CXCR3ALDH1A1
SCHEMBL2224561 0.85 RORC (0.39) CXCR3ALDH1A1ENPP1

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 ACKR3 8/4885KDM4E 3941/4885CXCR3 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.