SCHEMBL25599285

SCHEMBL25599285

C=C1CC(C)CC(CC[C@H](NC(=O)c2ccc3ccccc3c2OCC#CC(C)C)C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.34
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
CASP6 P55212 2/20 0.34
CASP8 Q14790 2/20 0.34
CXCR2 P25025 4/20 0.34
BCL2L1 Q07817 1/20 0.33
CASR P41180 2/20 0.32
ELANE P08246 4/20 0.31
FNTA P49354 3/20 0.31
FNTB P49356 3/20 0.31
PGGT1B P53609 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL25599562 0.90 CASP1 (0.33) CASP1CASP3CASP7CASP6CASP8
SCHEMBL25599395 0.90 ACACB (0.32)
SCHEMBL25599298 0.85 CXCR2 (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL25599321 0.82 CXCR2 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL25599566 0.82 CFTR (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL25599493 0.82 CXCR2 (0.36) CXCR2FNTAFNTB
SCHEMBL25599278 0.82 CXCR2 (0.39) CASP1CASP3CASP7CASP6CASP8
SCHEMBL25599374 0.82 CXCR2 (0.51) CXCR2
SCHEMBL25599284 0.82 CXCR2 (0.51) CXCR2
SCHEMBL25599246 0.81 CXCR2 (0.45) CASP1CASP3CASP7CASP6CASP8

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 CASP1 3728/4885CASP3 3496/4885CASP7 2852/4885

“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.