SCHEMBL19196673

SCHEMBL19196673

Cc1cccc(Cc2nc(C(=O)c3cncnc3N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)C3)sc2C)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 19/20 0.67
UBA2 Q9UBT2 19/20 0.67
NAE1 Q13564 18/20 0.67
UBA3 Q8TBC4 18/20 0.67

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
SCHEMBL17421211 0.93 SAE1 (0.77) SAE1UBA2NAE1UBA3
SCHEMBL17410042 0.89 SAE1 (0.68) SAE1UBA2NAE1UBA3
SCHEMBL17410169 0.87 SAE1 (0.87) SAE1UBA2NAE1UBA3
SCHEMBL17410123 0.85 SAE1 (0.84) SAE1UBA2NAE1UBA3
SCHEMBL17410140 0.84 SAE1 (0.69) SAE1UBA2NAE1UBA3
SCHEMBL21205300 0.83 SAE1 (0.62) SAE1UBA2NAE1UBA3
SCHEMBL17410053 0.82 SAE1 (0.63) SAE1UBA2NAE1UBA3
SCHEMBL17421504 0.82 SAE1 (0.63) SAE1UBA2NAE1UBA3
SCHEMBL17410023 0.81 SAE1 (0.86) SAE1UBA2NAE1UBA3
SCHEMBL23927335 0.81 SAE1 (0.80) SAE1UBA2NAE1UBA3

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-9962386-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 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-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 SAE1 1/4885UBA2 5/4885NAE1 88/4885

“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.