SCHEMBL1154004

SCHEMBL1154004

CCCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.57
CNR2 P34972 6/20 0.57
DNMT3A Q9Y6K1 1/20 0.54
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NLRP3 Q96P20 3/20 0.50
PTGER4 P35408 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49

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
SCHEMBL1153972 0.99 PTPN11 (0.59) PTPN11CNR2DNMT3AHDAC1HDAC6
SCHEMBL1154688 0.99 PTPN11 (0.59) PTPN11CNR2DNMT3AHDAC1HDAC6
SCHEMBL1154387 0.97 DNMT3A (0.55) PTPN11CNR2DNMT3AHDAC1HDAC6
SCHEMBL1154709 0.94 DNMT3A (0.56) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1153886 0.91 PTPN11 (0.57) PTPN11CNR2DNMT3AHDAC1HDAC6
SCHEMBL1154747 0.91 PPARD (0.54) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154619 0.90 DNMT3A (0.52) PTPN11DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154190 0.90 DNMT3A (0.52) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154293 0.90 DNMT3A (0.58) DNMT3AHDAC1HDAC6NLRP3PTGER4
SCHEMBL1154062 0.90 CNR2 (0.50) CNR2DNMT3AHDAC1HDAC6NLRP3

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 PTPN11 107/4885CNR2 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.