SCHEMBL4534602

SCHEMBL4534602

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1OCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CAPN1 P07384 1/20 0.46
CTSB P07858 1/20 0.46
FTO Q9C0B1 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ITGB1 P05556 3/20 0.45
ITGA4 P13612 2/20 0.45
ITGB7 P26010 1/20 0.45
CXCR2 P25025 1/20 0.45
CCKAR P32238 1/20 0.44
CCKBR P32239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR132 Q9UNW8 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA5 P08648 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL4534596 1.00 ELANE (0.53) ELANEMEN1KMT2ACAPN1CTSB
SCHEMBL4521889 0.95 ALDH1A1 (0.51) ELANEMEN1KMT2AITGB1ITGA4
SCHEMBL4521881 0.95 ALDH1A1 (0.51) ELANEMEN1KMT2AITGB1ITGA4
SCHEMBL25549035 0.94 ELANE (0.48) ELANEMEN1KMT2AITGB1ITGA4
SCHEMBL23461455 0.91 CXCR2 (0.51) ELANEMEN1KMT2AITGB1ITGA4
SCHEMBL23461456 0.91 CXCR2 (0.51) ELANEMEN1KMT2AITGB1ITGA4
SCHEMBL4523472 0.90 CXCR2 (0.56) ELANEMEN1KMT2ACAPN1CTSB
SCHEMBL4523475 0.90 CXCR2 (0.56) ELANEMEN1KMT2ACAPN1CTSB
SCHEMBL25548856 0.89 ELANE (0.55) ELANEMEN1KMT2ACAPN1CTSB
SCHEMBL4522743 0.86 CXCR2 (0.57) ELANEITGB1ITGA4CXCR2GPR132

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 ELANE 245/4885MEN1 4101/4885KMT2A 4181/4885

“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.