Sugi Predict

Sugi Predict / Compounds / SCHEMBL783932

SCHEMBL783932

SCHEMBL783932

CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](Nc3cc(Nc4cccc5c4CCCC5)ncn3)[C@@H]2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.36
▸ RXRA P19793 3/20 0.35
▸ RXRB P28702 3/20 0.35
▸ RXRG P48443 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ NAE1 Q13564 1/20 0.34
▸ UBA3 Q8TBC4 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCR4 P51679 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL783179 0.82 IRAK4 (0.42) EGFRRXRARXRBRXRGPPARA
SCHEMBL16261900 0.78 NAE1 (0.42) EGFRNAE1UBA3LMNASMN1; SMN2
SCHEMBL2351017 0.78 NAE1 (0.42) EGFRNAE1UBA3LMNASMN1; SMN2
SCHEMBL16262495 0.78 NAE1 (0.42) EGFRNAE1UBA3LMNASMN1; SMN2
SCHEMBL782716 0.78 NAE1 (0.42) EGFRNAE1UBA3LMNASMN1; SMN2
SCHEMBL16262497 0.78 NAE1 (0.42) EGFRNAE1UBA3LMNASMN1; SMN2
SCHEMBL783645 0.75 MEN1 (0.39) MEN1KMT2A
SCHEMBL782522 0.75 — —
SCHEMBL783020 0.72 NAE1 (0.51) NAE1UBA3
SCHEMBL782957 0.72 NAE1 (0.31) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 — — US disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 — — US disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 — — US disclosed
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
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-8481550-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 — — US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 — — EP 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 (4 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 EGFR 1767/4885RXRA 4196/4885RXRB 4304/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 EGFR 1767/4885RXRA 4196/4885RXRB 4304/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 EGFR 1767/4885RXRA 4196/4885RXRB 4304/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 EGFR 1767/4885RXRA 4196/4885RXRB 4304/4885

“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.