SCHEMBL18630443

SCHEMBL18630443

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(C#Cc4cc(F)cc(F)c4)ncnc32)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATG7 O95352 4/20 0.34
▸ UBA6 A0AVT1 1/20 0.34
▸ UBA7 P41226 1/20 0.34
▸ NAE1 Q13564 1/20 0.34
▸ UBA3 Q8TBC4 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL18631296 0.85 BCHE (0.41) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL18630925 0.85 BCHE (0.41) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL18630442 0.84 BCHE (0.40) BCHEATG7UBA6UBA7NAE1
SCHEMBL1797038 0.80 CA1 (0.53) ATG7UBA6UBA7NAE1UBA3
SCHEMBL13773372 0.79 BCHE (0.54) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL12652428 0.78 BCHE (0.43) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL12567150 0.78 BCHE (0.47) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL23080227 0.77 BCHE (0.36) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL12566833 0.77 BCHE (0.41) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL12652416 0.77 DNPH1 (0.43) BCHEATG7UBA6UBA7NAE1

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 151/4885ALDH1A1 1017/4885LMNA 4084/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 BCHE 151/4885ALDH1A1 1017/4885LMNA 4084/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 BCHE 24/4885ALDH1A1 987/4885LMNA 2462/4885

“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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