SCHEMBL1154670

SCHEMBL1154670

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.52
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
ALDH1A1 P00352 2/20 0.52
FABP2 P12104 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.46
AKR1C3 P42330 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NLRP3 Q96P20 3/20 0.43
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL1154238 0.93 PPARA (0.53) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1154151 0.92 PPARA (0.52) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1153965 0.92 PPARA (0.60) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1153911 0.91 ALDH1A1 (0.52) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1154760 0.90 ALDH1A1 (0.48) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1154718 0.90 DNMT3A (0.59) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1154818 0.89 ALDH1A1 (0.48) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1153980 0.89 ALDH1A1 (0.50) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1154047 0.89 ALDH1A1 (0.54) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL1152684 0.88 ALDH1A1 (0.49) PPARAPPARGPPARDALDH1A1FABP2

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 PPARA 3326/4885PPARG 3368/4885PPARD 3132/4885

“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.