SCHEMBL805375

SCHEMBL805375

COc1cccc(-c2nc3c(N[C@H]4CC[C@H](COS(N)(=O)=O)C4)ncnc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 5/20 0.43
UBA3 Q8TBC4 5/20 0.43
CYP2C19 P33261 4/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL805417 0.89 NAE1 (0.49) NAE1UBA3SAE1UBA2
SCHEMBL805371 0.88 NAE1 (0.45) NAE1UBA3SAE1UBA2
SCHEMBL10283691 0.88 NAE1 (0.52) NAE1UBA3SAE1UBA2
SCHEMBL782937 0.86 NAE1 (0.60) NAE1UBA3SAE1UBA2
SCHEMBL10283339 0.83 NAE1 (0.62) NAE1UBA3BTKSAE1UBA2
SCHEMBL805369 0.82 NAE1 (0.46) NAE1UBA3BTKSAE1UBA2
SCHEMBL805407 0.81 NAE1 (0.61) NAE1UBA3SAE1UBA2
SCHEMBL805393 0.80 NAE1 (0.49) NAE1UBA3BTKSAE1UBA2
SCHEMBL17145354 0.78 NAE1 (0.46) NAE1UBA3CYP2C19LMNACYP1A2
SCHEMBL805377 0.78 NAE1 (0.49) NAE1UBA3SAE1UBA2

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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 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 (2 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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885CYP2C19 2582/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885CYP2C19 2582/4885

“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.