SCHEMBL485747

SCHEMBL485747

CCOC(=O)C1(NC(=O)c2cc(Cl)c3ccccc3c2O)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38

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
SCHEMBL485831 0.87 DGAT2 (0.42) MEN1KMT2ADGAT2SMN1; SMN2POLB
SCHEMBL485755 0.86 KDM4E (0.50) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL485521 0.83 MEN1 (0.47) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL485606 0.78 MEN1 (0.49) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3312127 0.75 CXCR5 (0.51) DGAT2
SCHEMBL3304418 0.74 STK39 (0.42)
SCHEMBL485737 0.73 DGAT2 (0.43) KDM4EMAPTDGAT2POLB
SCHEMBL3307319 0.72 CXCR5 (0.51)
SCHEMBL3310224 0.71 CXCR5 (0.53) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL485672 0.71 KDM4E (0.60) KDM4EMEN1KMT2AMAPTALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 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 (3 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885MEN1 4049/4885KMT2A 4415/4885
US-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3853/4885MEN1 4101/4885KMT2A 4181/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885MEN1 4049/4885KMT2A 4415/4885

“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.