SCHEMBL4533696

SCHEMBL4533696

CC(CCc1ccccc1)Oc1c(C(=O)NC(C)C(=O)O)ccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.66
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
TSHR P16473 2/20 0.43
ACE P12821 1/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4533691 1.00 CXCR2 (0.66) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL13710827 1.00 CXCR2 (0.66) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL4533688 1.00 CXCR2 (0.66) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL4532524 0.89 CXCR2 (0.64) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL4514718 0.89 CXCR2 (0.64) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL4514723 0.89 CXCR2 (0.64) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL4532526 0.89 CXCR2 (0.64) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL4514716 0.89 CXCR2 (0.64) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL13710829 0.87 CXCR2 (0.61) CXCR2HPGDALDH1A1KDM4EKMT2A
SCHEMBL4528240 0.84 CXCR2 (0.50) CXCR2HPGDALDH1A1KDM4EKMT2A

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 1/4885HPGD 805/4885ALDH1A1 2011/4885

“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.