SCHEMBL1153928

SCHEMBL1153928

O=C(O)c1ccc(-c2ccc(CCNC(=O)c3cc(Cl)ccc3OCc3ccccc3F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.51
PTGER4 P35408 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
PTGER1 P34995 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MCHR1 Q99705 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NLRP3 Q96P20 3/20 0.45
KMT2A Q03164 1/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
SNCA P37840 1/20 0.45

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
SCHEMBL10180506 0.89 AKR1C3 (0.51) AKR1C3DNMT3ALMNAMAPTNPC1
SCHEMBL1153992 0.89 AKR1C3 (0.59) AKR1C3DNMT3AMRGPRX4PTGER1LMNA
SCHEMBL4013089 0.89 PTGER4 (0.55) AKR1C3DNMT3APTGER4LMNAMAPT
SCHEMBL1154704 0.89 AKR1C3 (0.50) AKR1C3DNMT3APTGER4MRGPRX4PTGER1
SCHEMBL1154192 0.88 DNMT3A (0.53) AKR1C3DNMT3APTGER4MRGPRX4PTGER1
SCHEMBL1153664 0.87 PTGER4 (0.59) AKR1C3DNMT3APTGER4MRGPRX4PTGER1
SCHEMBL1154081 0.85 AKR1C3 (0.52) AKR1C3DNMT3APTGER4MRGPRX4PTGER1
SCHEMBL1154066 0.85 AKR1C3 (0.55) AKR1C3DNMT3APTGER4PTGER1LMNA
SCHEMBL1154527 0.84 AKR1C3 (0.57) AKR1C3DNMT3APTGER4MRGPRX4PTGER1
SCHEMBL1154552 0.84 KMT2A (0.61) AKR1C3DNMT3APTGER1LMNAMAPT

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 AKR1C3 680/4885DNMT3A 4688/4885PTGER4 1923/4885

“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.