SCHEMBL1154634

SCHEMBL1154634

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CNR2 P34972 4/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NLRP3 Q96P20 3/20 0.44
CNR1 P21554 1/20 0.44
PPARD Q03181 2/20 0.43
PTGER4 P35408 1/20 0.43
AKR1C3 P42330 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
SCHEMBL10180483 0.89 DNMT3A (0.46) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154378 0.89 DNMT3A (0.61) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154747 0.89 PPARD (0.54) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154726 0.88 RARB (0.55) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154387 0.88 DNMT3A (0.55) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1152314 0.87 CNR2 (0.49) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154004 0.87 PTPN11 (0.57) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154062 0.86 CNR2 (0.50) CNR2DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154688 0.86 PTPN11 (0.59) ALDH1A1CNR2DNMT3AHDAC1HDAC6
SCHEMBL1153972 0.86 PTPN11 (0.59) ALDH1A1CNR2DNMT3AHDAC1HDAC6

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 14 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

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 ALDH1A1 3036/4885HPGD 3548/4885CNR2 328/4885

“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.