SCHEMBL4636349

SCHEMBL4636349

CCC(=C(C(C)=O)C(=O)O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5902611 0.82 FFAR3 (0.33) FFAR3
SCHEMBL5902134 0.82 FFAR3 (0.33) FFAR3
SCHEMBL44909 0.76 ALDH1A1 (0.36) FFAR3ALDH1A1TDP1
SCHEMBL109778 0.76 ALDH1A1 (0.36) FFAR3ALDH1A1TDP1
Acetic Acid SCHEMBL6238297 0.74 FFAR3 (0.35) FFAR3ALDH1A1TDP1
Hydrochloric Acid SCHEMBL5177423 0.74 ALDH1A1 (0.35) FFAR3ALDH1A1TDP1
Hydrochloric Acid SCHEMBL27756695 0.74 ALDH1A1 (0.35) FFAR3ALDH1A1TDP1
SCHEMBL23428438 0.73 ALDH1A1 (0.38) FFAR3ALDH1A1TDP1
Chloromethane SCHEMBL219837 0.73 ALDH1A1 (0.33) FFAR3ALDH1A1TDP1
Hydrochloric Acid SCHEMBL10569852 0.73 FFAR3 (0.33) FFAR3ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998532-B1 Substituted 1,3,4-oxadiazole derivatives as anti-tubercular agents King Faisal University (SA) 2024-06-04 US disclosed
US-20230286928-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2023-09-14 US disclosed
EP-3807254-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE Epigen Biosciences, Inc. (US) 2021-04-21 EP disclosed
WO-2020114482-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND 中国科学院上海药物研究所 2020-06-11 WO disclosed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
CN-101538246-B Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC 2014-07-16 CN disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 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 (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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S FFAR3 1223/4885ALDH1A1 871/4885TDP1 1567/4885
US-11998532-B1 Substituted 1,3,4-oxadiazole derivatives as anti-tubercular agents OXA1L, DUT, TALDO1 FFAR3 4034/4885ALDH1A1 483/4885TDP1 1584/4885
US-20230286928-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR2, LPAR4 FFAR3 99/4885ALDH1A1 2298/4885TDP1 2700/4885

“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.