SCHEMBL4516638

SCHEMBL4516638

CC(C)(NC(=O)c1ccc2ccccc2c1OCCc1ccccn1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.58
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL3933328 0.95 CXCR2 (0.58) CXCR2KDM4ENPC1RAB9AKMT2A
SCHEMBL485473 0.90 CXCR2 (0.55) CXCR2KDM4ENPC1RAB9AKMT2A
SCHEMBL3934439 0.86 CXCR2 (0.63) CXCR2KDM4ELMNAHDAC3HDAC4
SCHEMBL3933194 0.84 CXCR2 (0.66) CXCR2KDM4ENPC1RAB9AKMT2A
SCHEMBL3922428 0.83 CXCR2 (0.71) CXCR2KDM4ELMNAHDAC3HDAC4
SCHEMBL4532483 0.83 CXCR2 (0.62) CXCR2KDM4ENPC1RAB9AKMT2A
SCHEMBL3926118 0.83 CXCR2 (0.74) CXCR2KDM4ENPC1RAB9AKMT2A
SCHEMBL3934333 0.82 CXCR2 (0.65) CXCR2KDM4ELMNAHDAC3HDAC4
SCHEMBL3926202 0.82 CXCR2 (0.59) CXCR2KDM4EKMT2ALMNAHDAC3
SCHEMBL4530817 0.82 CXCR2 (0.67) CXCR2KDM4ELMNAHDAC3HDAC4

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 6 patents. 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-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
WO-2008000409-A1 NEW CXCR2 INHIBITORS 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-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885KDM4E 3853/4885NPC1 1147/4885

“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.