SCHEMBL1154062

SCHEMBL1154062

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2cc(C(=O)O)ccc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.50
PTGER4 P35408 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.50
PPARD Q03181 5/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RARB P10826 1/20 0.47
NLRP3 Q96P20 1/20 0.46
CNR1 P21554 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
SCHEMBL1154387 0.91 DNMT3A (0.55) CNR2PTGER4DNMT3APPARDHDAC1
SCHEMBL1154747 0.90 PPARD (0.54) CNR2PTGER4DNMT3APPARDHDAC1
SCHEMBL1154004 0.90 PTPN11 (0.57) CNR2PTGER4DNMT3AHDAC1HDAC6
SCHEMBL1154726 0.89 RARB (0.55) CNR2DNMT3APPARDPPARAPPARG
SCHEMBL1153972 0.89 PTPN11 (0.59) CNR2DNMT3AHDAC1HDAC6RARB
SCHEMBL1154688 0.89 PTPN11 (0.59) CNR2DNMT3AHDAC1HDAC6RARB
SCHEMBL1152314 0.89 CNR2 (0.49) CNR2PTGER4DNMT3APPARDHDAC1
SCHEMBL1154024 0.87 MCHR1 (0.57) DNMT3APPARDPPARAHDAC1HDAC6
SCHEMBL10305269 0.87 CNR2 (0.48) CNR2PTGER4DNMT3APPARDPPARA
SCHEMBL1154703 0.87 PTGER4 (0.49) CNR2PTGER4DNMT3APPARDHDAC1

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 CNR2 328/4885PTGER4 1923/4885DNMT3A 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.