SCHEMBL12566837

SCHEMBL12566837

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(NCC4CCCCC4)ncnc32)O1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ ADORA1 P30542 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ UBA6 A0AVT1 1/20 0.42
▸ ATG7 O95352 1/20 0.42
▸ UBA7 P41226 1/20 0.42
▸ NAE1 Q13564 1/20 0.42
▸ UBA3 Q8TBC4 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL12566819 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL12652607 0.81 NR2F2 (0.54) CCNA2CDK2CDK5CDK5R1ADORA1
SCHEMBL32661823 0.81 ADORA1 (0.65) ADORA1SMN1; SMN2UBA6ATG7UBA7
SCHEMBL1798569 0.81 ADORA1 (0.65) ADORA1SMN1; SMN2UBA6ATG7UBA7
SCHEMBL12567124 0.81 ABL1 (0.49) NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL13773372 0.80 BCHE (0.54) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL9587879 0.80 ADORA3 (0.46) CCNA2CDK2CDK5CDK5R1ADORA1
SCHEMBL12652428 0.80 BCHE (0.43) UBA6ATG7UBA7NAE1UBA3
SCHEMBL12567150 0.80 BCHE (0.47) SMN1; SMN2UBA6ATG7UBA7NAE1
Methyl Alcohol SCHEMBL9587418 0.79 ADORA3 (0.46) CCNA2CDK2CDK5CDK5R1ADORA1

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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — 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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CCNA2 200/4885CDK2 37/4885CDK5 44/4885

“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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