SCHEMBL2277700

SCHEMBL2277700

CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCC3CC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.51
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
F10 P00742 2/20 0.41
ATM Q13315 1/20 0.40
CCR2 P41597 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TNF P01375 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
FBP1 P09467 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL2272031 0.96 CXCR3 (0.49) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2271646 0.96 CXCR3 (0.49) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2265587 0.96 CXCR3 (0.49) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2221634 0.93 CXCR3 (0.52) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2223102 0.91 CXCR3 (0.50) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2276600 0.90 CXCR3 (0.49) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2275511 0.90 CXCR3 (0.49) CXCR3LMNASMN1; SMN2ATMHDAC3
SCHEMBL2269178 0.90 CXCR3 (0.53) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2273532 0.90 CXCR3 (0.51) CXCR3LMNASMN1; SMN2KCNH2CACNA1I
SCHEMBL2338278 0.90 CXCR3 (0.47) CXCR3LMNASMN1; SMN2ATMMEN1

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 1/4885LMNA 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.