Sugi Predict

Sugi Predict / Compounds / SCHEMBL689546

SCHEMBL689546

SCHEMBL689546

CCOC(=O)c1c(-c2cccs2)csc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ MAPT P10636 4/20 1.00
▸ GAA P10253 2/20 1.00
▸ KEAP1 Q14145 1/20 1.00
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ MPI P34949 1/20 0.68
▸ TP53 P04637 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ HSD17B10 Q99714 6/20 0.66
▸ HPGD P15428 6/20 0.66
▸ ALOX15 P16050 3/20 0.64
▸ USP2 O75604 1/20 0.64
▸ PRKCZ Q05513 5/20 0.64
▸ KDM4E B2RXH2 6/20 0.63
▸ TSHR P16473 2/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ CASP1 P29466 1/20 0.63
▸ CASP7 P55210 1/20 0.63

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
SCHEMBL5322468 0.85 MAPT (0.73) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL1190649 0.81 PRKCZ (0.80) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL27493254 0.80 ALDH1A1 (0.67) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL1554267 0.80 PRKCZ (0.69) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL689871 0.80 ALDH1A1 (1.00) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL5919370 0.79 ALDH1A1 (0.77) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL688690 0.78 MAPT (1.00) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL689452 0.78 PRKCZ (0.80) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL18177337 0.78 MAPT (1.00) ALDH1A1MAPTGAAKEAP1MEN1
SCHEMBL8201082 0.78 MAPT (0.77) ALDH1A1MAPTGAAKEAP1MEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619968-A Dihydrothienopyrimidino pyrido indol-4-one derivative and application thereof 新疆工程学院 2024-09-10 — — CN disclosed
US-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death DANA-FARBER CANCER INSTITUTE, INC. 2020-06-04 — — US disclosed
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 — — US disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 — — EP disclosed
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 — — EP disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 — — EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 — — EP disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 — — US disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 — — WO disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 — — EP disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 — — EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 — — US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 — — 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 (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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death BAX, BAD, TMBIM6 ALDH1A1 4275/4885MAPT 4692/4885GAA 2885/4885
US-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 ALDH1A1 247/4885MAPT 2978/4885GAA 883/4885
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1504/4885MAPT 2527/4885GAA 4164/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1871/4885MAPT 4248/4885GAA 328/4885

“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.