SCHEMBL21283394

SCHEMBL21283394

CC[C@@H](CNS(N)(=O)=O)[C@@H](O)Cn1ccc2c(N[C@@H]3c4ccccc4C[C@@H]3OC)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 10/20 0.39
▸ UBA3 Q8TBC4 9/20 0.39
▸ CA2 P00918 2/20 0.37
▸ GRK5 P34947 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ UBA6 A0AVT1 1/20 0.37
▸ NEDD8 Q15843 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ UBA2 Q9UBT2 1/20 0.37
▸ CRHR1 P34998 4/20 0.34
▸ VIPR2 P41587 3/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 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
SCHEMBL21283361 0.85 CRHR1 (0.39) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL21283385 0.84 NAE1 (0.52) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL21283366 0.81 NAE1 (0.42) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL21283396 0.81 NAE1 (0.42) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL21283358 0.77 NAE1 (0.42) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL192677 0.76 NAE1 (0.57) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL21283352 0.76 NAE1 (0.53) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL10236442 0.75 NAE1 (0.47) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL18872389 0.74 NAE1 (0.58) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL21283393 0.74 AURKA (0.45) NAE1UBA3CA2GRK5CSNK1A1

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-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 — — 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-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885CA2 3826/4885

“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.

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