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SCHEMBL2221035

SCHEMBL2221035

CCC(NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)c1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 4/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ CCR1 P32246 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
SCHEMBL16448958 0.93 CXCR3 (0.45) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2278522 0.91 CXCR3 (0.47) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2269269 0.91 CXCR3 (0.47) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2222052 0.90 CXCR3 (0.45) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2269023 0.89 CXCR3 (0.46) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2224637 0.85 CXCR3 (0.51) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2267597 0.84 CXCR3 (0.55) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2268611 0.84 CXCR3 (0.51) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2267948 0.83 CXCR3 (0.48) CXCR3ATMLMNASMN1; SMN2MEN1
SCHEMBL2266325 0.83 CXCR3 (0.48) CXCR3ATMLMNASMN1; SMN2MEN1

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
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 1/4885RXFP1 69/4885ATM 2840/4885

“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.