SCHEMBL1154527

SCHEMBL1154527

O=C(O)c1ccc(-c2ccc(CCNC(=O)c3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.57
DNMT3A Q9Y6K1 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PTGER1 P34995 1/20 0.48
MCHR1 Q99705 1/20 0.47
NLRP3 Q96P20 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PTGER4 P35408 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 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
SCHEMBL10305303 0.86 AKR1C3 (0.52) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6
SCHEMBL1154137 0.86 AKR1C3 (0.59) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6
SCHEMBL1154081 0.86 AKR1C3 (0.52) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6
SCHEMBL1153664 0.85 PTGER4 (0.59) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6
SCHEMBL1154735 0.85 DNMT3A (0.60) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6
SCHEMBL1153994 0.85 AKR1C3 (0.51) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6
SCHEMBL1154066 0.85 AKR1C3 (0.55) AKR1C3DNMT3AHDAC1HDAC6PTGER1
SCHEMBL1154293 0.85 DNMT3A (0.58) AKR1C3DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154192 0.85 DNMT3A (0.53) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6
SCHEMBL1154383 0.84 DNMT3A (0.56) AKR1C3DNMT3AMRGPRX4HDAC1HDAC6

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 11 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 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 AKR1C3 680/4885DNMT3A 4688/4885MRGPRX4 64/4885

“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.