Sugi Predict

Sugi Predict / Compounds / SCHEMBL12984837

SCHEMBL12984837

SCHEMBL12984837

C[C@H]1C[C@@H](n2ccc3c(N[C@H]4CC(C)(C)c5cc(Cl)ccc54)ncnc32)C[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UBA6 A0AVT1 5/20 0.43
▸ NAE1 Q13564 3/20 0.40
▸ CA2 P00918 2/20 0.40
▸ UBA3 Q8TBC4 2/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ NEDD8 Q15843 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ PRMT5 O14744 10/20 0.38
▸ WDR77 Q9BQA1 10/20 0.38
▸ PIP4K2A P48426 1/20 0.38

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
SCHEMBL12984834 0.91 NAE1 (0.39) UBA6NAE1CA2UBA3GRK5
SCHEMBL17865981 0.86 NAE1 (0.47) UBA6NAE1CA2UBA3GRK5
SCHEMBL17865982 0.86 NAE1 (0.41) UBA6NAE1CA2UBA3GRK5
SCHEMBL191755 0.83 NAE1 (0.63) UBA6NAE1CA2UBA3GRK5
SCHEMBL10233944 0.77 NAE1 (0.48) UBA6NAE1CA2UBA3GRK5
SCHEMBL10005034 0.76 NAE1 (0.44) UBA6NAE1CA2UBA3GRK5
SCHEMBL14921261 0.73 UBA6 (0.67) UBA6NAE1CA2UBA3GRK5
SCHEMBL17875191 0.72 NAE1 (0.73) UBA6NAE1CA2UBA3GRK5
SCHEMBL192881 0.72 NAE1 (0.73) UBA6NAE1CA2UBA3GRK5
SCHEMBL192416 0.72 NAE1 (0.73) UBA6NAE1CA2UBA3GRK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 — — US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 — — US disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 — — US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 — — 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 (6 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885NAE1 41/4885CA2 3826/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885NAE1 41/4885CA2 3826/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885NAE1 41/4885CA2 3826/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 UBA6 728/4885NAE1 41/4885CA2 3826/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885NAE1 41/4885CA2 3826/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 UBA6 802/4885NAE1 75/4885CA2 3434/4885

“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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