SCHEMBL4528022

SCHEMBL4528022

CC(C)C(NC(=O)c1ccc2ccccc2c1OCCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL4528013 1.00 CXCR2 (0.48) CXCR2CNR1CNR2ALDH1A1HDAC3
SCHEMBL4526434 0.91 CXCR2 (0.46) CXCR2CNR1CNR2ALDH1A1HDAC3
SCHEMBL4528240 0.89 CXCR2 (0.50) CXCR2CNR1CNR2ALDH1A1HDAC3
SCHEMBL4528248 0.89 CXCR2 (0.50) CXCR2CNR1CNR2ALDH1A1HDAC3
SCHEMBL4530862 0.89 CXCR2 (0.50) CXCR2CNR1CNR2ALDH1A1HDAC3
SCHEMBL4532553 0.88 CXCR2 (0.62) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4532548 0.88 CXCR2 (0.62) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4514716 0.85 CXCR2 (0.64) CXCR2ALDH1A1EGLN1KDM4EHPGD
SCHEMBL4532526 0.85 CXCR2 (0.64) CXCR2ALDH1A1EGLN1KDM4EHPGD
SCHEMBL4514718 0.85 CXCR2 (0.64) CXCR2ALDH1A1EGLN1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885CNR1 185/4885CNR2 219/4885

“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.