SCHEMBL6896763

SCHEMBL6896763

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CAD P27708 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
AURKA O14965 1/20 0.38
NTRK1 P04629 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 1/20 0.37
CPB2 Q96IY4 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL141446 0.84 ALDH1A1 (0.53) ALOX15ALDH1A1HPGDLMNAHSD17B10
SCHEMBL8800602 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1HPGDLMNAHSD17B10
SCHEMBL28186389 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1HPGDLMNAHSD17B10
Ethane SCHEMBL9181718 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1HPGDLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28791130 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1HPGDLMNAHSD17B10
SCHEMBL6050260 0.81 HCAR2 (0.38) ALOX15ALDH1A1HPGDLMNAHSD17B10
SCHEMBL2117569 0.81 ALDH1A1 (0.56) ALOX15ALDH1A1HPGDLMNAHSD17B10
SCHEMBL17765353 0.81 ALOX15 (0.48) ALOX15ALDH1A1HPGDLMNAHSD17B10
SCHEMBL3280933 0.79 ALOX15 (0.46) ALOX15ALDH1A1HPGDLMNAHSD17B10
SCHEMBL5143571 0.79 ALDH1A1 (0.48) ALOX15ALDH1A1HPGDLMNAHSD17B10

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 22 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-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-108738320-B cGMP modulators for the treatment of cardiovascular diseases 默沙东公司 2021-11-19 CN disclosed
WO-2021150645-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2021-07-29 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
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 US disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1309549-A1 ACETAMIDE DERIVATIVES AND THE USE THEREOF AS INHIBITORS OF COAGULATION FACTORS XA AND VIIA MERCK PATENT GmbH (DE) 2003-05-14 EP disclosed
WO-2002010127-A1 ACETAMIDE DERIVATIVES AND THE USE THEREOF AS INHIBITORS OF COAGULATION FACTORS XA AND VIIA MERCK PATENT GMBH (DE) 2002-02-07 WO disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A ALOX15 2749/4885ALDH1A1 2472/4885HPGD 632/4885
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A ALOX15 2749/4885ALDH1A1 2472/4885HPGD 632/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A ALOX15 2749/4885ALDH1A1 2472/4885HPGD 632/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A ALOX15 2749/4885ALDH1A1 2472/4885HPGD 632/4885

“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.