SCHEMBL6327028

SCHEMBL6327028

CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCOC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LIPE Q05469 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
PIK3CA P42336 4/20 0.34
PIK3R1 P27986 3/20 0.34
MTOR P42345 2/20 0.34
GLA P06280 1/20 0.33
NPY1R P25929 1/20 0.33
KCNH2 Q12809 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
SCHEMBL861136 0.85 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8326067 0.84 MAPT (0.42) L3MBTL1AKT1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6323174 0.83 USP2 (0.36) SMN1; SMN2USP2PIK3CAPIK3R1MTOR
SCHEMBL8334943 0.82 USP2 (0.36) SMN1; SMN2USP2PIK3CAPIK3R1MTOR
SCHEMBL8334947 0.82 ALDH1A1 (0.32) L3MBTL1ALDH1A1KDM4ELMNATSHR
SCHEMBL6318463 0.82 USP2 (0.40) SMN1; SMN2USP2PIK3CAPIK3R1MTOR
SCHEMBL6265826 0.80 L3MBTL1 (0.40) L3MBTL1AKT1ALDH1A1KDM4ELMNA
SCHEMBL860569 0.80 L3MBTL1 (0.36) L3MBTL1ALDH1A1KDM4ESMN1; SMN2GLA
SCHEMBL5847969 0.78 L3MBTL1 (0.40) L3MBTL1AKT1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4244018 0.77 L3MBTL1 (0.39) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 L3MBTL1 4110/4885AKT1 948/4885ALDH1A1 666/4885

“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.