SCHEMBL112243

SCHEMBL112243

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.57
KCNH2 Q12809 1/20 0.57
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CCR1 P32246 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 1/20 0.42
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL112584 0.91 CXCR3 (0.55) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL111889 0.90 CXCR3 (0.67) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL111833 0.87 CXCR3 (0.61) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL113639 0.86 CXCR3 (0.57) CXCR3KCNH2SMN1; SMN2CCR1ALDH1A1
SCHEMBL111164 0.86 CXCR3 (0.59) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL112638 0.85 CXCR3 (0.54) CXCR3KCNH2CCR1TSHRCYP1A2
SCHEMBL114797 0.84 CXCR3 (0.57) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL111758 0.84 RAB9A (0.54) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL113902 0.84 CXCR3 (0.53) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL110498 0.84 CXCR3 (0.59) CXCR3KCNH2KMT2ASMN1; SMN2ALDH1A1

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 CXCR3 1/4885KCNH2 1384/4885KMT2A 3794/4885

“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.