SCHEMBL3924908

SCHEMBL3924908

CC(C)(NC(=O)c1ccc2ccccc2c1NCCCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.63
EPHX2 P34913 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MTNR1A P48039 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FAAH O00519 1/20 0.39
KCNJ11 Q14654 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL3924958 0.90 CXCR2 (0.52) CXCR2EPHX2POLBKDM4EASPH
SCHEMBL3926235 0.83 CXCR2 (0.67) CXCR2POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL13712650 0.83 CXCR2 (0.67) CXCR2EPHX2POLBKDM4EALDH1A1
SCHEMBL3937042 0.82 ASPH (0.59) EPHX2KDM4EASPHKDM8ALDH1A1
SCHEMBL3936570 0.82 CXCR2 (0.66) CXCR2POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL3923622 0.81 CXCR2 (0.54) CXCR2POLBKDM4ESMN1; SMN2MTNR1A
SCHEMBL3927238 0.80 KDM4E (0.50) CXCR2EPHX2POLBKDM4EASPH
SCHEMBL485138 0.80 CXCR2 (0.63) CXCR2KDM4ECYP1A1CYP1B1NPC1
SCHEMBL3922428 0.80 CXCR2 (0.71) CXCR2KDM4EMTNR1A
SCHEMBL4530817 0.79 CXCR2 (0.67) CXCR2KDM4EMTNR1A

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 9 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
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
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

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 1/4885EPHX2 249/4885POLB 3597/4885

“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.