SCHEMBL4599055

SCHEMBL4599055

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nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.43
GZMB P10144 3/20 0.39
CASP1 P29466 6/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GNPAT O15228 1/20 0.36

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
SCHEMBL8360127 1.00 CASP3 (0.43) CASP3GZMBCASP1KDM4EMAPT
SCHEMBL4599097 1.00 CASP3 (0.43) CASP3GZMBCASP1KDM4EMAPT
SCHEMBL7275397 0.85 CASP1 (0.41) CASP3GZMBCASP1
SCHEMBL23288380 0.84 ALDH1A1 (0.39) CASP3GZMBKDM4EMAPTTHRB
SCHEMBL5454579 0.81 KDM4E (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL11557965 0.81 KDM4E (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12809931 0.81 CASP3 (0.45) CASP3GZMBCASP1
SCHEMBL7275500 0.81 CASP3 (0.45) CASP3GZMBCASP1
SCHEMBL200456 0.79 PLA2G2C (0.40)
SCHEMBL24809460 0.79 PLA2G2C (0.40)

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116926141-A Method for synthesizing acetylated amino acid and oligopeptide by catalyzing food-grade enzyme preparation 华南理工大学 2023-10-24 CN disclosed
EP-4006625-A1 CONTACT LENS AND MOLD FOR MANUFACTURING SAME Dae Won Pharmaceutical Co., Ltd. (KR) 2022-06-01 EP disclosed
WO-2019190266-A1 PSMA-TARGETED RADIOPHARMACEUTICAL FOR DIAGNOSING AND TREATING PROSTATE CANCER (주)퓨쳐켐 2019-10-03 WO disclosed
EP-3034512-B1 A process for producing iron (III) casein N-acetyl-aspartylated complexes and use thereof in pharmaceutical compositions TSETI IOULIA (GR) 2017-12-06 EP disclosed
US-20170212125-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. 2017-07-27 US disclosed
EP-3034512-A1 A process for producing iron (III) casein N-acetyl-aspartylated complexes and use thereof in pharmaceutical compositions Tseti, Ioulia (GR) 2016-06-22 EP disclosed
US-20160108089-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2016-04-21 US disclosed
CN-104053785-A Assays For Selecting A Treatment Regimen For A Subject With Depression And Methods For Treatment GEN HOSPITAL CORP 2014-09-17 CN disclosed
US-20130023646-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-01-24 US disclosed
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles AILERON THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
EP-0594760-B1 POLYACRYLIC ACID BASED OPHTHALMIC COMPOSITIONS EUROPHTA LAB (MC) 1998-05-06 EP disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
EP-0594760-A1 POLYACRYLIC ACID BASED OPHTHALMIC COMPOSITIONS LABORATOIRE EUROPHTA S.A. (MC) 1994-05-04 EP disclosed
WO-1993000887-A1 POLYACRYLIC ACID BASED OPHTHALMIC COMPOSITIONS LABORATOIRE EUROPHTA S.A. (MC) 1993-01-21 WO disclosed
US-5000936-A Methods for locally-treating allergic disorders with pharmaceutical preparations containing N-acetyl-aspartyl glutamic acid or its salts THEA (THERAPEUTIQUE ET APPLICATIONS) S.A. (FR) 1991-03-19 US disclosed
US-4593045-A N-acetyl-L-aspartyl taurine useful as hypertensive agent Societe a Responsabilite Limite dite: B.F.B. Estudes et Recherches Experimentales (FR) 1986-06-03 US disclosed
EP-0069674-B1 MEDICINES CONTAINING AN N-ACYL-L-ASPACTYL-TAURINE SOCIETE BFB (FR) 1985-04-17 EP disclosed
EP-0069674-A1 Medicines containing an N-acyl-L-aspactyl-taurine SOCIETE BFB (FR) 1983-01-12 EP disclosed
US-4175084-A AND AN N-ACYL ASPARTIC ACID CARRIER, FOR PSYCHOLOGICAL DISORDERS, LEARNING ENHANCEMENT AND SLEEP INDUCTION SENTRALINSTITUTT FOR INDUSTRIELL FORSKNING (NO) 1979-11-20 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 (4 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-20130023646-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CASP3 909/4885GZMB 102/4885CASP1 1259/4885
US-20170212125-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 CASP3 1759/4885GZMB 553/4885CASP1 2538/4885
US-20160108089-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CASP3 909/4885GZMB 102/4885CASP1 1259/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP CASP3 909/4885GZMB 102/4885CASP1 1259/4885

“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.