SCHEMBL1153667

SCHEMBL1153667

O=C(O)c1ccc(-c2ccc(CCNC(=O)c3cc(Cl)ccc3OCCOCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.53
DNMT3A Q9Y6K1 1/20 0.52
PTGER1 P34995 1/20 0.51
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NLRP3 Q96P20 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
PTGER4 P35408 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL1154066 0.91 AKR1C3 (0.55) AKR1C3DNMT3APTGER1KMT2ALMNA
SCHEMBL1154709 0.85 DNMT3A (0.56) AKR1C3DNMT3AMAPTHDAC1HDAC6
SCHEMBL1154387 0.85 DNMT3A (0.55) AKR1C3DNMT3AKMT2AHDAC1HDAC6
SCHEMBL1154735 0.84 DNMT3A (0.60) AKR1C3DNMT3APTGER1KMT2AHDAC1
SCHEMBL1153664 0.84 PTGER4 (0.59) AKR1C3DNMT3APTGER1KMT2ALMNA
SCHEMBL1154004 0.84 PTPN11 (0.57) DNMT3AHDAC1HDAC6NLRP3PTGER4
SCHEMBL1154619 0.84 DNMT3A (0.52) AKR1C3DNMT3ALMNAMAPTHDAC1
SCHEMBL1154190 0.84 DNMT3A (0.52) AKR1C3DNMT3ALMNAMAPTHDAC1
SCHEMBL1154293 0.83 DNMT3A (0.58) AKR1C3DNMT3AKMT2AMAPTHDAC1
SCHEMBL1154688 0.83 PTPN11 (0.59) DNMT3AKMT2AMAPTHDAC1HDAC6

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 AKR1C3 680/4885DNMT3A 4688/4885PTGER1 359/4885

“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.