SCHEMBL16858610

SCHEMBL16858610

COS(=O)(=O)N[C@H]1C[C@@H](Oc2cc(NC3CCCC3)ncn2)C[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 6/20 0.60
▸ UBA3 Q8TBC4 6/20 0.60
▸ S1PR1 P21453 11/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAP2K7 O14733 1/20 0.37
▸ PRCP P42785 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35

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
SCHEMBL15007594 0.80 NAE1 (0.61) NAE1UBA3S1PR1MEN1KMT2A
SCHEMBL15007593 0.77 NAE1 (0.61) NAE1UBA3S1PR1MEN1KMT2A
SCHEMBL783481 0.75 NAE1 (1.00) NAE1UBA3
SCHEMBL25387099 0.65 NAE1 (0.48) NAE1UBA3
SCHEMBL26250382 0.65 NAE1 (0.48) NAE1UBA3
SCHEMBL3032942 0.65 S1PR1 (0.58) S1PR1MEN1KMT2AS1PR5
SCHEMBL24344306 0.64 KMT2A (0.47) MEN1KMT2AMAP2K7PRCP
SCHEMBL29535199 0.64 KMT2A (0.47) MEN1KMT2AMAP2K7PRCP
SCHEMBL2771904 0.63 S1PR1 (0.57) S1PR1MEN1KMT2AS1PR5
SCHEMBL31153390 0.62 PRMT5 (0.56) NAE1UBA3

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-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-02 — — 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-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885S1PR1 4356/4885

“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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