SCHEMBL5259353

SCHEMBL5259353

O=C(O)CCC(NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 6/20 0.56
GAA P10253 1/20 0.55
FOLH1 Q04609 8/20 0.53
RIMKLA Q8IXN7 1/20 0.51
SLC1A3 P43003 1/20 0.51
GGH Q92820 1/20 0.49
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ADAMTS4 O75173 1/20 0.47

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
SCHEMBL1834431 1.00 NAALAD2 (0.56) NAALAD2GAAFOLH1RIMKLASLC1A3
SCHEMBL5262634 0.88 KMT2A (0.57) NAALAD2GAASLC1A3MMP9
SCHEMBL5262631 0.88 KMT2A (0.57) NAALAD2GAASLC1A3MMP9
SCHEMBL4654152 0.87 FOLH1 (0.47) NAALAD2GAAFOLH1RIMKLA
SCHEMBL4654148 0.87 FOLH1 (0.47) NAALAD2GAAFOLH1RIMKLA
SCHEMBL13610482 0.85 NAALAD2 (0.49) NAALAD2GAAFOLH1RIMKLA
SCHEMBL31663461 0.84 MMP2 (0.52) SLC1A3MMP9MMP8
SCHEMBL21802397 0.84 SLC1A3 (0.54) GAASLC1A3
SCHEMBL21802396 0.84 SLC1A3 (0.54) GAASLC1A3
SCHEMBL8477195 0.82 FOLH1 (0.50) NAALAD2GAAFOLH1RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166087-B Screening agent and use thereof 恩多塞特公司 2024-05-10 CN disclosed
CN-110546135-B Method for producing isocyanate 旭化成株式会社 2021-12-14 CN disclosed
CN-112438905-B Moisturizing and skin-brightening composition and application thereof 澳思美日用化工(广州)有限公司 2021-09-07 CN disclosed
CN-113166087-A Shielding agent and application thereof 恩多塞特公司 2021-07-23 CN disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
CN-112438905-A Moisturizing and skin-brightening composition and application thereof 澳思美日用化工(广州)有限公司 2021-03-05 CN disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
EP-3626705-A1 ISOCYANATE PRODUCTION METHOD Asahi Kasei Kabushiki Kaisha (JP) 2020-03-25 EP disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 CN disclosed
CN-101327226-A Light-emitting microorganisms and cells for tumour diagnosis/therapy GENELUX CORP (US) 2008-12-24 CN disclosed
EP-1338588-B1 METHOD OF RESOLVING OPTICAL ISOMERS OF AMINO ACID DERIVATIVE TOKUYAMA CORP (JP) 2007-09-26 EP disclosed
US-7199264-B2 Method of resolving optical isomers of amino acid derivative TOKUYAMA CORPORATION (JP) 2007-04-03 US disclosed
US-20040102646-A1 Method of resolving optical isomers of amino acid derivative TOKUYAMA CORPORATION (JP) 2004-05-27 US disclosed
EP-1338588-A1 METHOD OF RESOLVING OPTICAL ISOMERS OF AMINO ACID DERIVATIVE TOKUYAMA CORPORATION (JP) 2003-08-27 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 (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-20040102646-A1 Method of resolving optical isomers of amino acid derivative ALAD, AAAS, BCAT1 NAALAD2 69/4885GAA 2087/4885FOLH1 1171/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 NAALAD2 208/4885GAA 1174/4885FOLH1 1222/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 NAALAD2 208/4885GAA 1174/4885FOLH1 1222/4885

“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.