SCHEMBL5259390

SCHEMBL5259390

O=C(NC(Cc1ccccc1)C(=O)O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.56
NPSR1 Q6W5P4 1/20 0.55
GPR132 Q9UNW8 1/20 0.54
ITGB1 P05556 1/20 0.54
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.54
FPR2 P25090 1/20 0.53
SLC1A3 P43003 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ACE P12821 4/20 0.52
CPA1 P15085 3/20 0.52
ACE2 Q9BYF1 3/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51

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
SCHEMBL1833280 1.00 MME (0.56) MMENPSR1GPR132ITGB1ITGA4
SCHEMBL10974653 0.91 MME (0.56) MMEGPR132ITGB1ITGA4ITGB7
SCHEMBL2747735 0.89 PPARG (0.65) MMEGPR132ACECPA1ACE2
SCHEMBL2747442 0.87 NAALAD2 (0.69) MMENAALAD2SLC1A3
SCHEMBL1219647 0.85 MEN1 (0.53) ITGB1ITGA4ITGB7FPR2
SCHEMBL1219646 0.85 MEN1 (0.53) ITGB1ITGA4ITGB7FPR2
SCHEMBL30090841 0.85 MME (0.61) MMENPSR1GPR132NAALAD2FPR2
SCHEMBL28353707 0.85 MME (0.61) MMENPSR1GPR132NAALAD2FPR2
SCHEMBL16124629 0.84 ACE (0.51) MMEGPR132ITGB1ITGA4ITGB7
SCHEMBL16124607 0.84 ITGB1 (0.55) MMEITGB1ITGA4ITGB7FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
CN-115160187-A Preparation method of N-benzyloxycarbonyl-L-phenylalanine 山西百利恒康医药科技有限公司 2022-10-11 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
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US 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
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
CN-102123994-A N-carboxy amino acid anhydride and amino acid carbamate compound production method JSR CORP 2011-07-13 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 MME 1298/4885NPSR1 3306/4885GPR132 2707/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 MME 2353/4885NPSR1 4777/4885GPR132 4724/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 MME 2353/4885NPSR1 4777/4885GPR132 4724/4885

“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.