SCHEMBL5259541

SCHEMBL5259541

CSCCC(NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 1/20 0.53
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
MAPK1 P28482 1/20 0.51
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.49
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
SLC1A3 P43003 1/20 0.48

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
SCHEMBL1839387 1.00 NPSR1 (0.53) NPSR1ALDH1A1FNTAFNTBMAPK1
SCHEMBL21891811 0.88 POLB (0.49) GAACA1
SCHEMBL21891858 0.87 PPID (0.52) NPSR1ALDH1A1GAA
SCHEMBL21891959 0.84 POLB (0.44) GAA
SCHEMBL27830439 0.83 BCL2 (0.57) GAA
SCHEMBL23423232 0.82 POLB (0.45) GAACA1
SCHEMBL21891762 0.82 POLB (0.45) GAACA1
SCHEMBL21891748 0.82 CYP1A2 (0.46) GAA
SCHEMBL11436844 0.81 FAAH (0.55) SLC1A3
SCHEMBL5259353 0.81 NAALAD2 (0.56) GAASLC1A3

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
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-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
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
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
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 NPSR1 3306/4885ALDH1A1 3448/4885FNTA 1319/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 NPSR1 4777/4885ALDH1A1 1502/4885FNTA 355/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 NPSR1 4777/4885ALDH1A1 1502/4885FNTA 355/4885

“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.