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SCHEMBL2272108

SCHEMBL2272108

CC(C)(C)NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2ccnc(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ TAS1R2 Q8TE23 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ ACKR3 P25106 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.34
▸ PREP P48147 2/20 0.34
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ IDH2 P48735 2/20 0.33
▸ DEGS1 O15121 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ FAP Q12884 1/20 0.33

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
SCHEMBL2223364 0.89 CXCR3 (0.53) CXCR3MEN1KMT2AACKR3CACNA1I
SCHEMBL2223250 0.89 CACNA1I (0.45) CXCR3CACNA1ISCN10ADEGS1
SCHEMBL2222960 0.88 ACKR3 (0.44) CXCR3KMT2AACKR3SCN10AIDH2
SCHEMBL2269804 0.88 GPR6 (0.43) CXCR3DEGS1
SCHEMBL2224894 0.86 IDH2 (0.46) CXCR3ACKR3SCN10AIDH2
SCHEMBL2268312 0.86 GAA (0.45) CXCR3MEN1KMT2AACKR3
SCHEMBL2265078 0.85 ACKR3 (0.45) CXCR3MEN1KMT2AACKR3SCN10A
SCHEMBL2269849 0.85 CKS1B (0.42) CXCR3ACKR3
SCHEMBL2222289 0.85 F10 (0.42) MEN1KMT2AACKR3
SCHEMBL2223340 0.84 ABL1 (0.41) CXCR3

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 CXCR3 1/4885TAS1R3 851/4885TAS1R1 705/4885

“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.