SCHEMBL3928680

SCHEMBL3928680

COC(=O)C1(NC(=O)c2ccc3ccccc3c2O)CCSC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.43
MEN1 O00255 9/20 0.43
KDM4A O75164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
LDHA P00338 1/20 0.41
CXCR2 P25025 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PLG P00747 2/20 0.40
KLK1 P06870 2/20 0.40

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
SCHEMBL3931108 0.93 KMT2A (0.47) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL10290187 0.87 KMT2A (0.49) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL485604 0.85 CXCR2 (0.51) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL485606 0.77 MEN1 (0.49) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL485521 0.75 MEN1 (0.47) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL3308342 0.73 CXCR5 (0.56) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL3922449 0.72 CXCR2 (0.56) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL485157 0.72 CXCR2 (0.50) MAPTPOLBCXCR2NPC1RAB9A
SCHEMBL3310224 0.72 CXCR5 (0.53) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL5194915 0.71 IDO1 (0.41) KMT2AMEN1RXFP1NPC1RAB9A

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
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 EP disclosed
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 EP disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
EP-2040690-A1 INHIBITORS OF CXCR2 Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008000407-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
WO-2008000407-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2008-01-03 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-20090215827-A1 INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR4 KMT2A 4504/4885MEN1 4053/4885KDM4A 3515/4885

“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.