SCHEMBL12566819

SCHEMBL12566819

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(NCc4ccccc4)ncnc32)O1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ DNPH1 O43598 1/20 0.51
▸ ADORA3 P0DMS8 6/20 0.50
▸ TP53 P04637 1/20 0.50
▸ SLC29A1 Q99808 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NR2F2 P24468 2/20 0.49
▸ NT5E P21589 1/20 0.48
▸ P2RX3 P56373 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ CDK1 P06493 1/20 0.47

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
SCHEMBL12652607 0.91 NR2F2 (0.54) NPC1RAB9ASMN1; SMN2DNPH1ADORA3
SCHEMBL12567124 0.91 ABL1 (0.49) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL20008035 0.86 ABL1 (0.50) NPC1RAB9ASMN1; SMN2ADORA3NR2F2
SCHEMBL12567224 0.85 ADORA3 (0.44) NPC1RAB9ASMN1; SMN2ADORA3TSHR
SCHEMBL12652414 0.84 UBA6 (0.47) NR2F2
SCHEMBL13467655 0.84 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL12567198 0.84 ATG7 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL17875220 0.83 SLC29A1 (0.60) NPC1RAB9ASMN1; SMN2DNPH1ADORA3
SCHEMBL1796246 0.83 SLC29A1 (0.60) NPC1RAB9ASMN1; SMN2DNPH1ADORA3
SCHEMBL18630490 0.83 P2RY12 (0.53) ADORA3

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 2 patents. 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
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — 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 NPC1 3774/4885RAB9A 2706/4885SMN1; SMN2 413/4885

“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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