SCHEMBL5329840

SCHEMBL5329840

CC(C)(CO)C(O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
KCNH2 Q12809 1/20 0.47
VNN1 O95497 11/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL10076382 1.00 PTGS1 (0.47) PTGS1KCNH2VNN1CA1CA2
Ethylenediamine SCHEMBL28334089 0.93 PTGS1 (0.43) PTGS1KCNH2VNN1
SCHEMBL18697963 0.80 CA1 (0.37) PTGS1KCNH2CA1CA2
Pantoic Acid SCHEMBL11561456 0.78 PTGS1 (0.42) PTGS1KCNH2VNN1
Pantoic Acid SCHEMBL11561453 0.78 PTGS1 (0.42) PTGS1KCNH2VNN1
Pantoic Acid SCHEMBL213982 0.77 PTGS1 (0.48) PTGS1KCNH2VNN1
Pantoic Acid SCHEMBL213981 0.77 PTGS1 (0.48) PTGS1KCNH2VNN1
Pantoic Acid SCHEMBL29112230 0.77 PTGS1 (0.48) PTGS1KCNH2VNN1
SCHEMBL10074938 0.77 PTGS1 (0.48) PTGS1KCNH2VNN1
Pantoic Acid SCHEMBL7781736 0.77 PTGS1 (0.48) PTGS1KCNH2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528256-B1 D-2,4-dihydroxy-3,3-dimethylbutyronitrile, its production and use and process for production of D-pantolactone, D-2,4-dihydroxy-3,3-dimethylbutyramide and D-pantothenic acid DEGUSSA (DE) 1996-09-25 EP claimed
EP-0528256-A1 D-2,4-dihydroxy-3,3-dimethylbutyronitrile, its production and use and process for production of D-pantolactone, D-2,4-dihydroxy-3,3-dimethylbutyramide and D-pantothenic acid DEGUSSA AG (DE) 1993-02-24 EP claimed
EP-4580638-A1 CHEMICAL CONJUGATES, COMPOSITIONS, AND METHODS OF PREPARATION AND USE THEREOF Transfection Holdings Limited (NZ) 2025-07-09 EP disclosed
WO-2024049306-A1 CHEMICAL CONJUGATES, COMPOSITIONS, AND METHODS OF PREPARATION AND USE THEREOF LOPEZ GONZALEZ RICARDO (NZ) 2024-03-07 WO disclosed
WO-2024049306-A1 CHEMICAL CONJUGATES, COMPOSITIONS, AND METHODS OF PREPARATION AND USE THEREOF LOPEZ GONZALEZ RICARDO (NZ) 2024-03-07 WO disclosed
CN-113286778-B Ubiquitin analogs MMV疟疾药物投资公司 2023-09-22 CN disclosed
US-9056851-B2 Thiolactone antibiotics THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-06-16 US disclosed
US-20140113941-A1 THIOLACTONE ANTIBIOTICS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-04-24 US disclosed
WO-2012135027-A2 THIOLACTONE ANTIBIOTICS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-10-04 WO disclosed
WO-2007143652-A2 CHEWABLE SOFT GELATIN CAPSULES SOFT GEL TECHNOLOGIES, INC. (US) 2007-12-13 WO disclosed
WO-2006132879-A2 SOFT GEL CAPSULES CONTAINING POLYMETHOXYLATED FLAVONES AND PALM OIL TOCOTRIENOLS SOFT GEL TECHNOLOGIES, INC. (US) 2006-12-14 WO disclosed
EP-0528256-B1 D-2,4-dihydroxy-3,3-dimethylbutyronitrile, its production and use and process for production of D-pantolactone, D-2,4-dihydroxy-3,3-dimethylbutyramide and D-pantothenic acid DEGUSSA (DE) 1996-09-25 EP disclosed
EP-0528256-B1 D-2,4-dihydroxy-3,3-dimethylbutyronitrile, its production and use and process for production of D-pantolactone, D-2,4-dihydroxy-3,3-dimethylbutyramide and D-pantothenic acid DEGUSSA (DE) 1996-09-25 EP disclosed
EP-0528256-A1 D-2,4-dihydroxy-3,3-dimethylbutyronitrile, its production and use and process for production of D-pantolactone, D-2,4-dihydroxy-3,3-dimethylbutyramide and D-pantothenic acid DEGUSSA AG (DE) 1993-02-24 EP disclosed
EP-0528256-A1 D-2,4-dihydroxy-3,3-dimethylbutyronitrile, its production and use and process for production of D-pantolactone, D-2,4-dihydroxy-3,3-dimethylbutyramide and D-pantothenic acid DEGUSSA AG (DE) 1993-02-24 EP disclosed
EP-0231925-B1 HAIR CARE COMPOSITIONS Richardson-Vicks, Inc. (US) 1990-01-24 EP disclosed
EP-0231925-A2 Hair care compositions Richardson-Vicks, Inc. (US) 1987-08-12 EP 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 (1 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-20140113941-A1 THIOLACTONE ANTIBIOTICS TTL, UBE2L3, TST PTGS1 2924/4885KCNH2 804/4885VNN1 2152/4885

“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.