SCHEMBL2268611

SCHEMBL2268611

CC(NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.51
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GPR139 Q6DWJ6 2/20 0.39
ATM Q13315 2/20 0.39
ROCK2 O75116 3/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
USP36 Q9P275 1/20 0.36
TNF P01375 1/20 0.36
THRB P10828 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL2267948 0.94 CXCR3 (0.48) CXCR3MEN1KMT2AGPR139ATM
SCHEMBL2266325 0.94 CXCR3 (0.48) CXCR3MEN1KMT2AGPR139ATM
SCHEMBL2267597 0.93 CXCR3 (0.55) CXCR3MEN1KMT2AGPR139ATM
SCHEMBL2224637 0.90 CXCR3 (0.51) CXCR3MEN1KMT2AATMLMNA
SCHEMBL2267935 0.89 CXCR3 (0.48) CXCR3MEN1KMT2AATMLMNA
SCHEMBL2223502 0.89 CXCR3 (0.56) CXCR3MEN1KMT2AATMLMNA
SCHEMBL2270711 0.89 CXCR3 (0.45) CXCR3MEN1KMT2AGPR139ATM
SCHEMBL2273467 0.89 CXCR3 (0.46) CXCR3MEN1KMT2AATMLMNA
SCHEMBL2268795 0.89 CXCR3 (0.47) CXCR3MEN1KMT2AGPR139ATM
SCHEMBL2267783 0.88 CXCR3 (0.47) CXCR3MEN1KMT2AGPR139ATM

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 9 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-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 1/4885MEN1 3640/4885KMT2A 3936/4885

“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.