SCHEMBL2222132

SCHEMBL2222132

CS(=O)(=O)c1cnc(N2CCC(CC(=O)NC3CCCCC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.50
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HSD11B1 P28845 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2221730 0.99 CXCR3 (0.51) CXCR3NPC1RAB9AL3MBTL1PAX8
SCHEMBL2222814 0.96 CXCR3 (0.52) CXCR3NPC1RAB9AL3MBTL1KMT2A
SCHEMBL14669345 0.93 CXCR3 (0.49) CXCR3KMT2AMEN1MAPTATM
SCHEMBL2272792 0.93 CXCR3 (0.49) CXCR3KMT2AMEN1MAPTATM
SCHEMBL2223589 0.93 CXCR3 (0.49) CXCR3PAX8KMT2AMEN1HTT
SCHEMBL2223197 0.93 CXCR3 (0.48) CXCR3NPC1RAB9AL3MBTL1PAX8
SCHEMBL2267902 0.92 CXCR3 (0.48) CXCR3NPC1RAB9AL3MBTL1KMT2A
SCHEMBL2265402 0.91 CXCR3 (0.48) CXCR3NPC1RAB9APAX8ACKR3
SCHEMBL2267417 0.91 CXCR3 (0.49) CXCR3ACKR3KMT2AMEN1MAPT
SCHEMBL2272031 0.90 CXCR3 (0.49) CXCR3KMT2AMEN1EPHX2MAPT

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 10 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
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 1/4885NPC1 710/4885RAB9A 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.

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