SCHEMBL25599321

SCHEMBL25599321

C=C1CC(C)CC(CC[C@H](NC(=O)c2ccc3ccccc3c2OCc2ccc(S(C)(=O)=O)cc2)C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.38
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
BCL2L1 Q07817 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
PTPN1 P18031 1/20 0.32
CA2 P00918 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL25599341 0.92 CXCR2 (0.40) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599374 0.88 CXCR2 (0.51) CXCR2PTPN1CYP3A4
SCHEMBL25599284 0.88 CXCR2 (0.51) CXCR2PTPN1CYP3A4
SCHEMBL25599278 0.88 CXCR2 (0.39) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599046 0.87 CXCR2 (0.41) CXCR2PTPN1
SCHEMBL25599246 0.87 CXCR2 (0.45) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599493 0.87 CXCR2 (0.36) CXCR2PTPN1ALDH1A1
SCHEMBL25599010 0.86 CXCR2 (0.41) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599298 0.83 CXCR2 (0.35) CXCR2ITGB1ITGA4CASP1CASP3
SCHEMBL25599285 0.82 CASP1 (0.34) CXCR2CASP1CASP3CASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159439-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-25 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-20230159439-A1 ARYLAMIDES AND METHODS OF USE THEREOF CFTR, AADAC, ARSA CXCR2 1205/4885ITGB1 4082/4885ITGA4 2822/4885

“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.