SCHEMBL1153886

SCHEMBL1153886

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.57
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.51
CNR2 P34972 3/20 0.48
NLRP3 Q96P20 2/20 0.48
ADRB3 P13945 2/20 0.48
ADRB1 P08588 1/20 0.48
AKR1C3 P42330 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1154387 0.92 DNMT3A (0.55) PTPN11PPARDDNMT3ACNR2NLRP3
SCHEMBL1154004 0.91 PTPN11 (0.57) PTPN11DNMT3ACNR2NLRP3HDAC1
SCHEMBL1154688 0.90 PTPN11 (0.59) PTPN11DNMT3ACNR2NLRP3HDAC1
SCHEMBL1153972 0.90 PTPN11 (0.59) PTPN11DNMT3ACNR2NLRP3HDAC1
SCHEMBL3701464 0.88 PPARD (0.53) PPARDPPARADNMT3ACNR2NLRP3
SCHEMBL10180600 0.88 DNMT3A (0.49) DNMT3ANLRP3AKR1C3HDAC1HDAC6
SCHEMBL1154106 0.88 DNMT3A (0.49) DNMT3ACNR2NLRP3AKR1C3HDAC1
SCHEMBL1154703 0.88 PTGER4 (0.49) PPARDDNMT3ACNR2NLRP3AKR1C3
SCHEMBL1154747 0.87 PPARD (0.54) PPARDDNMT3ACNR2NLRP3ADRB3
SCHEMBL1154063 0.87 DNMT3A (0.53) PTPN11DNMT3ACNR2NLRP3ADRB3

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
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
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 PTPN11 107/4885PPARD 3132/4885PPARA 3326/4885

“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.