SCHEMBL2271015

SCHEMBL2271015

COc1ccccc1CNC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.47
ATM Q13315 1/20 0.45
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 3/20 0.42
MAPK1 P28482 1/20 0.42
F10 P00742 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ACKR3 P25106 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL2271260 0.92 CXCR3 (0.48) CXCR3ATMRAB9AMEN1KMT2A
SCHEMBL2269654 0.91 CXCR3 (0.48) CXCR3ATMMEN1KMT2AF10
SCHEMBL2269698 0.91 CXCR3 (0.49) CXCR3ATMMEN1KMT2AMAPK1
SCHEMBL2354024 0.90 CXCR3 (0.48) CXCR3ATMRAB9AMEN1KMT2A
SCHEMBL16448963 0.89 CXCR3 (0.47) CXCR3ATMMEN1KMT2AUSP2
SCHEMBL2275511 0.89 CXCR3 (0.49) CXCR3ATMRAB9AALDH1A1LMNA
SCHEMBL2270555 0.89 CXCR3 (0.47) CXCR3ATMRAB9AMEN1KMT2A
SCHEMBL2270467 0.88 ALDH1A1 (0.47) CXCR3ATMKMT2AALDH1A1ACKR3
SCHEMBL2276600 0.88 CXCR3 (0.49) CXCR3ATMRAB9AMEN1KMT2A
SCHEMBL2221634 0.87 CXCR3 (0.52) CXCR3ATMMEN1KMT2AUSP2

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 1/4885ATM 2840/4885RAB9A 1764/4885

“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.