SCHEMBL160915

SCHEMBL160915

CS(=O)(=O)c1ccc(NC(=O)c2ccccc2N2CCN(C(=O)Cn3c(C(=O)O)cc4cc(Cl)ccc43)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43
CCR2 P41597 3/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
SERPINE1 P05121 1/20 0.40
ENPP2 Q13822 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGS2 P35354 2/20 0.39
NR3C2 P08235 1/20 0.39
PTGS1 P23219 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL158174 0.90 MAPT (0.46) POLBAVPR2GPR27LMNAMAPT
SCHEMBL15713009 0.84 CCR2 (0.41) POLBAVPR2GPR27CCR2MAPT
SCHEMBL30890016 0.77 POLB (0.54) POLBCCR2LMNAMAPTTHRB
SCHEMBL112243 0.74 CXCR3 (0.57) POLBLMNAMAPTTHRBKMT2A
SCHEMBL30890015 0.73 PTGS1 (0.55) POLBCCR2LMNAMAPTTHRB
SCHEMBL3969267 0.72 PTGS2 (0.57) CCR2LMNAMAPTTP53SERPINE1
SCHEMBL30890019 0.72 PTGS2 (0.51) POLBCCR2LMNAMAPTTHRB
SCHEMBL110650 0.71 CXCR3 (0.47) LMNAMAPTRXFP1RAB9ASMN1; SMN2
SCHEMBL30890029 0.71 ENPP2 (0.53) POLBCCR2MAPTTHRBTP53
SCHEMBL30889997 0.70 MEN1 (0.51) POLBCCR2LMNAMAPTTHRB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 POLB 3011/4885AVPR2 320/4885GPR27 134/4885

“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.