SCHEMBL6318463

SCHEMBL6318463

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 5/20 0.38
MTOR P42345 3/20 0.38
KDM1A O60341 1/20 0.37
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
GRM5 P41594 2/20 0.36
ESR2 Q92731 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
RECQL P46063 1/20 0.34
NR1H2 P55055 1/20 0.34
PIK3R1 P27986 2/20 0.34
SSTR4 P31391 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
SCHEMBL14380649 0.83 ESR2 (0.44) KDM1AGRM5ESR2GPR119NR1H2
SCHEMBL6323174 0.83 USP2 (0.36) USP2SMN1; SMN2PIK3CAMTORCSNK2A1
SCHEMBL8334943 0.82 USP2 (0.36) USP2SMN1; SMN2PIK3CAMTORKDM1A
SCHEMBL6327028 0.82 L3MBTL1 (0.38) USP2SMN1; SMN2PIK3CAMTORPIK3R1
SCHEMBL30474547 0.81 MPO (0.41) SMN1; SMN2KDM1AGRM5ESR2GPR119
SCHEMBL6190206 0.81 MPO (0.41) SMN1; SMN2KDM1AGRM5ESR2GPR119
SCHEMBL2492487 0.80 FGFR4 (0.40) USP2SMN1; SMN2KDM1ACSNK2A1CSNK2A2
SCHEMBL12654377 0.80 MPO (0.41) KDM1AGRM5ESR2GPR119NR1H2
SCHEMBL8334947 0.77 ALDH1A1 (0.32) USP2SMN1; SMN2PIK3CAMTORPIK3R1
SCHEMBL6260989 0.76 CSNK2A1 (0.36) USP2SMN1; SMN2KDM1ACSNK2A1CSNK2A2

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 USP2 4429/4885SMN1; SMN2 3478/4885PIK3CA 735/4885

“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.