SCHEMBL10076382

SCHEMBL10076382

CC(C)(CO)[C@@H](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
SCHEMBL5329840 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
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 CN disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 CN disclosed
CN-112964625-B Cell population analysis 英国质谱公司 2024-06-07 CN disclosed
WO-2023123046-A1 COMPOSITION FOR CARING FOR THE SKIN L'OREAL (FR) 2023-07-06 WO disclosed
WO-2020111229-A1 DRUG DELIVERY SYSTEM USING SOLUTION 国立大学法人京都大学 2020-06-04 WO disclosed
US-20190224170-A1 THERAPIES AND METHODS TO TREAT INFLAMMATORY GASTROINTESTINAL DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-25 US disclosed
EP-3236938-B1 ORAL TOPICAL AQUEOUS PHARMACEUTICAL COMPOSITIONS OF FLURBIPROFEN AND DEXPANTHENOL SANOVEL ILAC SANAYI VE TICARET AS (TR) 2019-03-27 EP disclosed
US-9670153-B2 Compositions and methods for the treatment of inflammation and lipid disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-06-06 US disclosed
US-9670153-B2 Compositions and methods for the treatment of inflammation and lipid disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-06-06 US disclosed
US-9193674-B2 Process for the preparation of aminoacrylic acid derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-24 US disclosed
US-9056851-B2 Thiolactone antibiotics THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-06-16 US disclosed
US-20150057347-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND LIPID DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-02-26 US disclosed
US-20150057347-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND LIPID DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-02-26 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
US-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US 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 (3 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-20150057347-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND LIPID DISORDERS FABP2, SLC10A2, LIPC PTGS1 341/4885KCNH2 1794/4885VNN1 1154/4885
US-20140113941-A1 THIOLACTONE ANTIBIOTICS TTL, UBE2L3, TST PTGS1 2924/4885KCNH2 804/4885VNN1 2152/4885
US-20190224170-A1 THERAPIES AND METHODS TO TREAT INFLAMMATORY GASTROINTESTINAL DISEASES AND DISORDERS FABP2, VNN1, APC PTGS1 71/4885KCNH2 4611/4885VNN1 2/4885

“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.