SCHEMBL2268876

SCHEMBL2268876

CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.48
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
TP53 P04637 2/20 0.39
P2RY12 Q9H244 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
THRB P10828 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL2276600 0.93 CXCR3 (0.49) CXCR3LMNASMN1; SMN2ATMTP53
SCHEMBL2275511 0.92 CXCR3 (0.49) CXCR3LMNASMN1; SMN2ATMTP53
SCHEMBL16448962 0.91 CXCR3 (0.48) CXCR3LMNASMN1; SMN2ATMTP53
SCHEMBL2273750 0.91 CXCR3 (0.49) CXCR3LMNASMN1; SMN2KMT2ACA1
SCHEMBL2270311 0.91 CXCR3 (0.49) CXCR3LMNASMN1; SMN2ATMTP53
SCHEMBL2270555 0.90 CXCR3 (0.47) CXCR3LMNASMN1; SMN2ATMP2RY12
SCHEMBL2270467 0.89 ALDH1A1 (0.47) CXCR3LMNAATMKMT2A
SCHEMBL2223069 0.89 CXCR3 (0.56) CXCR3LMNASMN1; SMN2MAPTMEN1
SCHEMBL2271260 0.89 CXCR3 (0.48) CXCR3LMNASMN1; SMN2ATMTP53
SCHEMBL2221634 0.89 CXCR3 (0.52) CXCR3LMNASMN1; SMN2ATMMAPT

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-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

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 1/4885LMNA 3445/4885SMN1; SMN2 4589/4885

“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.