SCHEMBL21283352

SCHEMBL21283352

CO[C@@H](CNS(N)(=O)=O)[C@@H](O)Cn1ccc2c(N[C@H]3CCc4ccccc43)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 9/20 0.53
▸ UBA3 Q8TBC4 7/20 0.53
▸ CA2 P00918 3/20 0.53
▸ UBA6 A0AVT1 3/20 0.53
▸ SAE1 Q9UBE0 3/20 0.53
▸ GRK5 P34947 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.53
▸ NEDD8 Q15843 1/20 0.53
▸ UBA2 Q9UBT2 1/20 0.53
▸ ATG7 O95352 1/20 0.44
▸ UBA7 P41226 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ AURKA O14965 3/20 0.42
▸ RPS6KB1 P23443 3/20 0.42
▸ AURKB Q96GD4 1/20 0.37
▸ CA1 P00915 1/20 0.36

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
SCHEMBL21283380 0.89 NAE1 (0.58) NAE1UBA3CA2UBA6SAE1
SCHEMBL21283385 0.89 NAE1 (0.52) NAE1UBA3CA2UBA6SAE1
SCHEMBL18872389 0.82 NAE1 (0.58) NAE1UBA3CA2UBA6SAE1
SCHEMBL18872378 0.81 NAE1 (0.52) NAE1UBA3CA2UBA6SAE1
SCHEMBL21283395 0.81 NAE1 (0.57) NAE1UBA3CA2UBA6SAE1
SCHEMBL23080231 0.79 NAE1 (0.54) NAE1UBA3CA2UBA6SAE1
SCHEMBL23080210 0.79 NAE1 (0.54) NAE1UBA3CA2UBA6SAE1
SCHEMBL21283354 0.78 NAE1 (0.56) NAE1UBA3CA2UBA6SAE1
SCHEMBL18872394 0.78 NAE1 (0.54) NAE1UBA3CA2UBA6SAE1
SCHEMBL18630514 0.77 NAE1 (0.58) NAE1UBA3CA2UBA6SAE1

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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