Sugi Predict

Sugi Predict / Compounds / SCHEMBL2117569

SCHEMBL2117569

SCHEMBL2117569

CCOC(=O)C(C)C(N)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALOX15 P16050 1/20 0.48
▸ AURKA O14965 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ CAD P27708 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ TRPA1 O75762 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL6896763 0.81 ALOX15 (0.52) ALDH1A1HPGDALOX15AURKANTRK1
SCHEMBL141446 0.80 ALDH1A1 (0.53) ALDH1A1HPGDALOX15CADLMNA
SCHEMBL8356665 0.79 ALDH1A1 (0.49) ALDH1A1HPGDALOX15AURKANTRK1
Ammonia Solution, Strong SCHEMBL28791130 0.78 ALDH1A1 (0.50) ALDH1A1HPGDALOX15CADLMNA
SCHEMBL28186389 0.78 ALDH1A1 (0.50) ALDH1A1HPGDALOX15CADLMNA
SCHEMBL8800602 0.78 ALDH1A1 (0.50) ALDH1A1HPGDALOX15CADLMNA
Ethane SCHEMBL9181718 0.78 ALDH1A1 (0.50) ALDH1A1HPGDALOX15CADLMNA
SCHEMBL9710349 0.77 ALOX15 (0.48) ALDH1A1HPGDALOX15AURKANTRK1
SCHEMBL2390777 0.77 ALOX15 (0.48) ALDH1A1HPGDALOX15AURKANTRK1
SCHEMBL21633318 0.77 ALDH1A1 (0.47) ALDH1A1HPGDALOX15AURKANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 — — EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 — — WO disclosed
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 — — WO disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 — — US disclosed
EP-3394067-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES Merck Sharp & Dohme Corp. (US) 2018-10-31 — — EP disclosed
US-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2018-10-25 — — US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 — — US disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — WO disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 — — EP disclosed
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2013-08-08 — — US disclosed
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2013-08-08 — — US disclosed
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2013-08-08 — — US disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 — — US disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 — — US disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 — — US disclosed
WO-2012049161-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2012-04-19 — — WO disclosed
WO-2010118852-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 — — 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 (5 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-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 3067/4885HPGD 987/4885ALOX15 854/4885
US-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A ALDH1A1 2472/4885HPGD 632/4885ALOX15 2749/4885
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 ALDH1A1 2718/4885HPGD 1649/4885ALOX15 4001/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A ALDH1A1 2472/4885HPGD 632/4885ALOX15 2749/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A ALDH1A1 2472/4885HPGD 632/4885ALOX15 2749/4885

“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.