SCHEMBL6322357

SCHEMBL6322357

CC(C)(C)OC(=O)N1CCOc2ccc(CC(=O)O)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
USP30 Q70CQ3 1/20 0.38
GRM5 P41594 2/20 0.38
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
FGFR4 P22455 2/20 0.35
ACHE P22303 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
SCD5 Q86SK9 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NOTUM Q6P988 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL853328 0.91 CSNK2A1 (0.36) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL23530252 0.88 CSNK2A1 (0.37) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL30918942 0.87 CSNK2A1 (0.37) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL8326067 0.87 MAPT (0.42) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL4207156 0.86 CSNK2A1 (0.38) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL8325968 0.85 CSNK2A1 (0.36) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL4253521 0.84 EGFR (0.40) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL2492487 0.82 FGFR4 (0.40) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL12405455 0.81 CSNK2A1 (0.40) CSNK2A1CSNK2A2USP30GRM5EGFR
SCHEMBL4928378 0.81 CSNK2A1 (0.38) CSNK2A1CSNK2A2USP30GRM5EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949578-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-09-27 US disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-6900232-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-05-31 US disclosed
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2004-12-23 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
US-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 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 (4 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-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists ADGRE5, ITGA5, ADGRF1 CSNK2A1 1382/4885CSNK2A2 1608/4885USP30 3440/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 CSNK2A1 1066/4885CSNK2A2 1233/4885USP30 3866/4885
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 CSNK2A1 1257/4885CSNK2A2 1441/4885USP30 3782/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 CSNK2A1 1257/4885CSNK2A2 1441/4885USP30 3782/4885

“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.