SCHEMBL1154562

SCHEMBL1154562

COc1ccc(Cl)cc1C(=O)NCCc1cc(Cl)c(-c2ccc(OC(C)(C)C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
DNMT3A Q9Y6K1 1/20 0.56
FABP2 P12104 1/20 0.55
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
NLRP3 Q96P20 3/20 0.52

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
SCHEMBL1154123 0.91 DNMT3A (0.66) ALDH1A1KDM4EPKMDNMT3AFABP2
SCHEMBL3687774 0.90 DNMT3A (0.69) ALDH1A1KDM4EPKMDNMT3AFABP2
SCHEMBL10180851 0.88 DNMT3A (0.60) ALDH1A1KDM4EPKMDNMT3AFABP2
SCHEMBL13884679 0.88 DNMT3A (0.54) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1153879 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EPKMDNMT3AFABP2
SCHEMBL1153988 0.86 DNMT3A (0.60) ALDH1A1KDM4EPKMDNMT3AFABP2
SCHEMBL1154719 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EPKMDNMT3AFABP2
SCHEMBL1154792 0.85 DNMT3A (0.62) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154718 0.84 DNMT3A (0.59) ALDH1A1KDM4EPKMDNMT3AFABP2
SCHEMBL1154495 0.83 DNMT3A (0.63) ALDH1A1KDM4EPKMDNMT3AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US claimed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP claimed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US claimed
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP claimed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO claimed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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-20110039851-A1 CCR10 ANTAGONISTS CCR10, CCR1, CCR4 ALDH1A1 3036/4885KDM4E 3511/4885PKM 3877/4885

“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.