Sugi Predict

Sugi Predict / Compounds / SCHEMBL783701

SCHEMBL783701

SCHEMBL783701

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N)C[C@H]1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.40
▸ LMNA P02545 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GJB2 P29033 1/20 0.32
▸ HRH4 Q9H3N8 4/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MTAP Q13126 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 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
SCHEMBL12393051 0.86 TAAR1 (0.38) TAAR1LMNAHTR2CHTR2BBCHE
SCHEMBL783646 0.85 TAAR1 (0.37) TAAR1LMNABCHEACHETSHR
SCHEMBL782454 0.81 TAAR1 (0.34) TAAR1LMNABCHEACHETHRB
SCHEMBL14957939 0.81 BCHE (0.40) TAAR1LMNABCHEACHEGJB2
SCHEMBL782455 0.81 TAAR1 (0.34) TAAR1LMNABCHEACHETHRB
SCHEMBL19170962 0.80 TAAR1 (0.33) TAAR1LMNABCHEACHE
SCHEMBL29589236 0.79 BCHE (0.49) TAAR1LMNABCHEACHETSHR
SCHEMBL22756306 0.79 BCHE (0.49) TAAR1LMNABCHEACHETSHR
SCHEMBL22756305 0.79 BCHE (0.49) TAAR1LMNABCHEACHETSHR
SCHEMBL30001024 0.79 BCHE (0.49) TAAR1LMNABCHEACHETSHR

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 14 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-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-09 — — US disclosed
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-26 — — 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
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 — — US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 — — EP 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 (7 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 TAAR1 4461/4885LMNA 2893/4885HTR2C 4580/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 TAAR1 4461/4885LMNA 2893/4885HTR2C 4580/4885
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 TAAR1 4461/4885LMNA 2893/4885HTR2C 4580/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 TAAR1 4461/4885LMNA 2893/4885HTR2C 4580/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 TAAR1 4461/4885LMNA 2893/4885HTR2C 4580/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 TAAR1 4461/4885LMNA 2893/4885HTR2C 4580/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 TAAR1 4461/4885LMNA 2893/4885HTR2C 4580/4885

“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.