SCHEMBL18631296

SCHEMBL18631296

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(C#Cc4cccc(Cl)c4)ncnc32)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.41
▸ ATG7 O95352 4/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ UBA6 A0AVT1 1/20 0.36
▸ UBA7 P41226 1/20 0.36
▸ NAE1 Q13564 1/20 0.36
▸ UBA3 Q8TBC4 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL18630925 0.90 BCHE (0.41) BCHEATG7UBA6UBA7NAE1
SCHEMBL18630442 0.88 BCHE (0.40) BCHEATG7UBA6UBA7NAE1
SCHEMBL18630443 0.85 BCHE (0.38) BCHEATG7UBA6UBA7NAE1
SCHEMBL12566441 0.83 BCHE (0.43) BCHEATG7UBA6UBA7NAE1
SCHEMBL1796915 0.81 CA1 (0.54) ATG7UBA6UBA7NAE1UBA3
SCHEMBL12652428 0.79 BCHE (0.43) BCHEATG7UBA6UBA7NAE1
SCHEMBL13773372 0.76 BCHE (0.54) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL12566802 0.76 BCHE (0.44) BCHEATG7UBA6UBA7NAE1
SCHEMBL12567150 0.76 BCHE (0.47) BCHEATG7UBA6UBA7NAE1
SCHEMBL12566427 0.75 DNPH1 (0.47) BCHEATG7ABL1UBA6UBA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — 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 (3 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 BCHE 151/4885ATG7 2417/4885ABL1 2724/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 BCHE 151/4885ATG7 2417/4885ABL1 2724/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 BCHE 24/4885ATG7 1114/4885ABL1 2833/4885

“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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