SCHEMBL18890837

SCHEMBL18890837

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(O)ccc2c1OCC2=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.40
▸ SETD7 Q8WTS6 2/20 0.39
▸ GPR119 Q8TDV5 11/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ SPR P35270 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
SCHEMBL18890841 0.89 USP30 (0.39) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL18863973 0.86 PSMB5 (0.41) PSMB5
SCHEMBL18863974 0.86 PSMB5 (0.41) PSMB5
SCHEMBL18864031 0.86 PSMB5 (0.41) PSMB5
SCHEMBL14735205 0.84 VEGFA (0.43) SMARCA2SMARCA4PBRM1PSMB5
SCHEMBL14735201 0.81 PARP1 (0.43) PSMB5
SCHEMBL18863989 0.79 GPR119 (0.44) GPR119PSMB5
SCHEMBL18864002 0.76 PDE4B (0.39) GPR119
SCHEMBL18864000 0.76 PDE4B (0.39) GPR119
SCHEMBL18864020 0.76 MAPT (0.35) PSMB5

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-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 — — 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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 SMARCA2 2425/4885SMARCA4 1803/4885PBRM1 1594/4885

“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.

Send feedback