SCHEMBL21844360

SCHEMBL21844360

CCNC(=O)NC(CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
FOLH1 Q04609 6/20 0.47
NAALAD2 Q9Y3Q0 4/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RIMKLA Q8IXN7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MME P08473 1/20 0.38

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
SCHEMBL31690474 0.84 TGFBR1 (0.52) MAPTFOLH1NAALAD2ALDH1A1LMNA
SCHEMBL7253429 0.83 MAPT (0.61) MAPTFOLH1NAALAD2ALDH1A1LMNA
SCHEMBL342236 0.83 MAPT (0.61) MAPTFOLH1NAALAD2ALDH1A1LMNA
SCHEMBL7256391 0.83 MAPT (0.61) MAPTFOLH1NAALAD2ALDH1A1LMNA
SCHEMBL5125262 0.82 FOLH1 (0.47) MAPTFOLH1NAALAD2POLBALDH1A1
SCHEMBL26669597 0.80 ALDH1A1 (0.68) MAPTFOLH1NAALAD2ALDH1A1LMNA
SCHEMBL3038972 0.79 EPHX1 (0.64) FOLH1SMN1; SMN2
SCHEMBL19929257 0.78 FOLH1 (0.53) MAPTFOLH1NAALAD2ALDH1A1LMNA
SCHEMBL31410761 0.78 POLB (0.44) MAPTFOLH1NAALAD2POLBALDH1A1
SCHEMBL27827362 0.78 POLB (0.44) MAPTFOLH1NAALAD2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201152-A1 COCRYSTAL ANTIOXIDANTS OF PROTOCATECHUIC ACID WITH L-THEANINE FOR THE TREATMENT OF OXIDATIVE STRESS AND INFLAMMATORY CONDITIONS THEAPRIN PHARMACEUTICALS INC. (US) 2023-06-29 US disclosed
US-20230201147-A1 COCRYSTAL ANTIOXIDANTS OF PROTOCATECHUIC ACID WITH L-THEANINE FOR THE TREATMENT OF OXIDATIVE STRESS AND INFLAMMATORY CONDITIONS THEAPRIN PHARMACEUTICALS INC. (US) 2023-06-29 US disclosed
US-20230149427-A1 COMPOSITIONS COMPRISING COCRYSTALS OF ACETYLSALICYLIC ACID AND THEANINE WITH TROMETHAMINE AND METHODS OF USE THEAPRIN PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20200101010-A1 SUBLINGUAL FORMULATION WITH WATER-SOLUBLE COCRYSTALS OF ACETYLSALICYLIC ACID WITH CITRIC ACID, SODIUM BICARBONATE, AND L-THEANINE FOR THE TREATMENT OF ACUTE MYOCARDIAL INFARCTION THEAPRIN PHARMACEUTICALS, INC. (US) 2020-04-02 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-20230201152-A1 COCRYSTAL ANTIOXIDANTS OF PROTOCATECHUIC ACID WITH L-THEANINE FOR THE TREATMENT OF OXIDATIVE STRESS AND INFLAMMATORY CONDITIONS PTGES, MGST3, LPO MAPT 2008/4885FOLH1 2141/4885NAALAD2 1837/4885
US-20230149427-A1 COMPOSITIONS COMPRISING COCRYSTALS OF ACETYLSALICYLIC ACID AND THEANINE WITH TROMETHAMINE AND METHODS OF USE PTGIS, PTGES, PTGS1 MAPT 1077/4885FOLH1 2195/4885NAALAD2 654/4885
US-20230201147-A1 COCRYSTAL ANTIOXIDANTS OF PROTOCATECHUIC ACID WITH L-THEANINE FOR THE TREATMENT OF OXIDATIVE STRESS AND INFLAMMATORY CONDITIONS PTGES, MGST3, LPO MAPT 2008/4885FOLH1 2141/4885NAALAD2 1837/4885
US-20200101010-A1 SUBLINGUAL FORMULATION WITH WATER-SOLUBLE COCRYSTALS OF ACETYLSALICYLIC ACID WITH CITRIC ACID, SODIUM BICARBONATE, AND L-THEANINE FOR THE TREATMENT OF ACUTE MYOCARDIAL INFARCTION CA3, ACSS2, CS MAPT 3065/4885FOLH1 1343/4885NAALAD2 521/4885

“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.