Sugi Predict

Sugi Predict / Compounds / SCHEMBL481295

SCHEMBL481295

SCHEMBL481295

CC(C)[Si](OCc1ccc(Br)cc1)(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.47
▸ PYCR1 P32322 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ APP P05067 1/20 0.39
▸ MAOB P27338 3/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL932721 0.86 PARP1 (0.39) IDO1PARP1ALDH1A1
SCHEMBL9889127 0.82 TAAR1 (0.45) IDO1TAAR1PARP1KDM4EALDH1A1
SCHEMBL15298776 0.82 AGXT (0.48) IDO1TAAR1MAOBPARP1ALDH1A1
SCHEMBL2406488 0.81 IDO1 (0.38) IDO1APPMAOBKDM4EKMT2A
SCHEMBL2406493 0.81 IDO1 (0.38) IDO1APPMAOBKDM4EKMT2A
SCHEMBL6596310 0.81 TAAR1 (0.41) IDO1PYCR1TAAR1MAOBNPC1
SCHEMBL27857506 0.81 MEN1 (0.40) IDO1PARP1KMT2AMEN1
SCHEMBL109956 0.80 CYP3A4 (0.47) IDO1APP
SCHEMBL18824993 0.80 PARP1 (0.41) IDO1TAAR1PARP1
SCHEMBL6753184 0.80 PARP1 (0.39) IDO1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 — — US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 — — US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 — — US disclosed
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 — — EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 — — EP disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 — — US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 — — US disclosed
US-7645885-B2 Non-steroidal antiandrogens THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-12 — — US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 — — US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 — — US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 — — US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 — — US disclosed
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 — — EP disclosed
US-20070049629-A1 Non-Steroidal Antiandrogens THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-01 — — US disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 — — WO disclosed
EP-0900241-B1 SILYL LINKER FOR SOLID PHASE ORGANIC SYNTHESIS OF ARYL-CONTAINING MOLECULES SMITHKLINE BEECHAM CORP (US) 2004-01-28 — — EP disclosed
EP-0900241-A4 SILYL LINKER FOR SOLID PHASE ORGANIC SYNTHESIS OF ARYL-CONTAINING MOLECULES SMITHKLINE BEECHAM CORP (US) 2002-10-09 — — EP disclosed
US-6127489-A Silyl linker for solid phase organic synthesis of aryl-containing molecules SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 — — US disclosed
EP-0900241-A1 SILYL LINKER FOR SOLID PHASE ORGANIC SYNTHESIS OF ARYL-CONTAINING MOLECULES SMITHKLINE BEECHAM CORPORATION (US) 1999-03-10 — — EP disclosed
WO-1997044367-A1 SILYL LINKER FOR SOLID PHASE ORGANIC SYNTHESIS OF ARYL-CONTAINING MOLECULES SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 — — WO 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 IDO1 2210/4885PYCR1 1034/4885TAAR1 189/4885
US-20070049629-A1 Non-Steroidal Antiandrogens AR, SHBG, NR5A1 IDO1 2882/4885PYCR1 717/4885TAAR1 610/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 IDO1 3036/4885PYCR1 1573/4885TAAR1 315/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX IDO1 1424/4885PYCR1 1848/4885TAAR1 3451/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX IDO1 1424/4885PYCR1 1848/4885TAAR1 3451/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 IDO1 3036/4885PYCR1 1573/4885TAAR1 315/4885

“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.