SCHEMBL1154632

SCHEMBL1154632

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NLRP3 Q96P20 3/20 0.48
CNR2 P34972 2/20 0.47
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 1/20 0.46
FABP2 P12104 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL1154423 0.89 DNMT3A (0.52) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1153965 0.88 PPARA (0.60) DNMT3AHDAC1HDAC6NLRP3ALDH1A1
SCHEMBL1154596 0.88 DNMT3A (0.68) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154682 0.87 DNMT3A (0.55) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1154174 0.87 PTPN1 (0.55) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1154440 0.87 HDAC1 (0.57) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1154387 0.87 DNMT3A (0.55) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1153980 0.86 ALDH1A1 (0.50) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL1154567 0.86 ALDH1A1 (0.50) DNMT3AHDAC1HDAC6NLRP3CNR2
SCHEMBL10181010 0.86 DNMT3A (0.54) DNMT3AHDAC1HDAC6NLRP3CNR2

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
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
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 4688/4885HDAC1 722/4885HDAC6 495/4885

“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.