SCHEMBL4535617

SCHEMBL4535617

C[C@@H](NC(=O)c1ccc2ccccc2c1OCCCCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
EPHX2 P34913 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4525119 1.00 CXCR2 (0.48) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4525126 1.00 CXCR2 (0.48) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13710826 0.97 CXCR2 (0.49) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4537225 0.97 CXCR2 (0.49) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4537230 0.97 CXCR2 (0.49) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4528248 0.93 CXCR2 (0.50) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4530862 0.93 CXCR2 (0.50) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4528240 0.93 CXCR2 (0.50) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4538033 0.87 CXCR2 (0.50) CXCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4538025 0.87 CXCR2 (0.50) CXCR2HDAC3HDAC4HDAC1HDAC7

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
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 1/4885HDAC3 1456/4885HDAC4 1650/4885

“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.