SCHEMBL12566443

SCHEMBL12566443

NS(=O)(=O)OC[C@@H]1CC[C@H](n2ccc3c(NCc4ccccc4)nccc32)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 6/20 0.40
▸ KLK1 P06870 6/20 0.40
▸ NAE1 Q13564 3/20 0.40
▸ UBA3 Q8TBC4 2/20 0.40
▸ CA2 P00918 3/20 0.34
▸ CTSL P07711 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRK5 P34947 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ UBA6 A0AVT1 1/20 0.33
▸ NEDD8 Q15843 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ UBA2 Q9UBT2 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL1795226 0.83 NAE1 (0.47) NAE1UBA3CA2
SCHEMBL12566825 0.81 CA2 (0.34) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL1798615 0.79 NAE1 (0.40) KLKB1KLK1NAE1UBA3CA2
SCHEMBL12566819 0.79 NPC1 (0.58) NPC1RAB9ASMN1; SMN2
SCHEMBL17889881 0.77 NAE1 (0.39) KLKB1KLK1NAE1UBA3CA2
SCHEMBL13773407 0.74 CA2 (0.43) CA2ALDH1A1LMNACYP1A2
SCHEMBL12652426 0.74 ATG7 (0.46) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL12652607 0.70 NR2F2 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL12567124 0.70 ABL1 (0.49) CTSLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14430991 0.70 ATG7 (0.53) 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 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 KLKB1 1669/4885KLK1 1264/4885NAE1 41/4885

“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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