SCHEMBL1154063

SCHEMBL1154063

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(=O)O)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.53
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HTR2A P28223 1/20 0.49
MCHR1 Q99705 1/20 0.49
NLRP3 Q96P20 3/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
CNR2 P34972 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL12860023 0.96 PTPN11 (0.53) DNMT3AHDAC1HDAC6HTR2AMCHR1
SCHEMBL1154024 0.92 MCHR1 (0.57) DNMT3AADRB1ADRB3HDAC1HDAC6
SCHEMBL1153918 0.91 DNMT3A (0.58) DNMT3AADRB1ADRB3HDAC1HDAC6
SCHEMBL10181387 0.90 DNMT3A (0.52) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1154387 0.89 DNMT3A (0.55) DNMT3AHDAC1HDAC6NLRP3PTPN11
SCHEMBL1154440 0.87 HDAC1 (0.57) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1154174 0.87 PTPN1 (0.55) DNMT3AHDAC1HDAC6NLRP3PTPN1
SCHEMBL1154026 0.87 DNMT3A (0.69) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1153886 0.87 PTPN11 (0.57) DNMT3AADRB1ADRB3HDAC1HDAC6
SCHEMBL1154567 0.87 ALDH1A1 (0.50) DNMT3AHDAC1HDAC6HTR2AMCHR1

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 16 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
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 DNMT3A 4688/4885ADRB1 110/4885ADRB3 425/4885

“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.