SCHEMBL1154747

SCHEMBL1154747

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.54
CNR2 P34972 4/20 0.51
DNMT3A Q9Y6K1 1/20 0.51
CNR1 P21554 1/20 0.51
MCHR1 Q99705 1/20 0.50
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NLRP3 Q96P20 3/20 0.47
PTGER4 P35408 1/20 0.46

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
SCHEMBL1154726 0.92 RARB (0.55) PPARDCNR2DNMT3ACNR1ADRB1
SCHEMBL1154387 0.92 DNMT3A (0.55) PPARDCNR2DNMT3AHDAC1HDAC6
SCHEMBL1152314 0.91 CNR2 (0.49) PPARDCNR2DNMT3ACNR1HDAC1
SCHEMBL1154004 0.91 PTPN11 (0.57) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154062 0.90 CNR2 (0.50) PPARDCNR2DNMT3ACNR1HDAC1
SCHEMBL1153972 0.90 PTPN11 (0.59) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154688 0.90 PTPN11 (0.59) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL10305269 0.90 CNR2 (0.48) PPARDCNR2DNMT3ACNR1HDAC1
SCHEMBL1154634 0.89 ALDH1A1 (0.50) PPARDCNR2DNMT3ACNR1HDAC1
SCHEMBL10180395 0.88 CNR1 (0.50) CNR2DNMT3ACNR1MCHR1HDAC1

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 PPARD 3132/4885CNR2 328/4885DNMT3A 4688/4885

“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.