SCHEMBL158174

SCHEMBL158174

CCOC(=O)c1cc2cc(Cl)ccc2n1CC(=O)N1CCN(c2ccccc2C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.41
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
NR3C2 P08235 1/20 0.38
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL160915 0.90 POLB (0.45) MAPTLMNAPOLBPTGS2AVPR2
SCHEMBL15713009 0.75 CCR2 (0.41) MAPTPOLBPTGS2AVPR2GPR27
SCHEMBL112243 0.73 CXCR3 (0.57) MAPTLMNAALDH1A1POLBTHRB
SCHEMBL110650 0.69 CXCR3 (0.47) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL30890016 0.68 POLB (0.54) MAPTLMNAPOLBPTGS2THRB
SCHEMBL112258 0.67 MAPT (0.42) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL3963306 0.67 MEN1 (0.60) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL19476691 0.66 PTGS2 (0.65) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL8689838 0.66 ALDH1A1 (0.54) MAPTLMNAKDM4EHSD17B10ALDH1A1
SCHEMBL112584 0.65 CXCR3 (0.55) LMNAALDH1A1HTTSMN1; SMN2

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 MAPT 4772/4885LMNA 3677/4885KDM4E 3738/4885

“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.