SCHEMBL25599298

SCHEMBL25599298

C=C1CC(C)CC(CC[C@H](NC(=O)c2ccc3ccccc3c2OCC2CCCCC2)C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PYGL P06737 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
HTRA1 Q92743 1/20 0.33
ABL1 P00519 1/20 0.33
FGFR3 P22607 1/20 0.33
DDR1 Q08345 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
DDR2 Q16832 1/20 0.33
MAP3K20 Q9NYL2 1/20 0.33

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
SCHEMBL25599265 0.89 ACACB (0.34) FNTAFNTBPYGLITGB1
SCHEMBL25599025 0.89 ITGAV (0.38) FNTAFNTBPYGLHTRA1MAPK14
SCHEMBL25599562 0.85 CASP1 (0.33) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599285 0.85 CASP1 (0.34) CXCR2FNTAFNTBCASP1CASP3
SCHEMBL25599566 0.83 CFTR (0.35) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599278 0.83 CXCR2 (0.39) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599321 0.83 CXCR2 (0.38) CXCR2CASP1CASP3CASP7CASP6
SCHEMBL25599374 0.83 CXCR2 (0.51) CXCR2
SCHEMBL25599284 0.83 CXCR2 (0.51) CXCR2
SCHEMBL25599493 0.83 CXCR2 (0.36) CXCR2FNTAFNTBPYGL

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 1205/4885FNTA 964/4885FNTB 70/4885

“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.