SCHEMBL4577282

SCHEMBL4577282

COC(=O)[C@H](CCC(=O)O)NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.47
NAALAD2 Q9Y3Q0 2/20 0.47
RIMKLA Q8IXN7 1/20 0.47
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GGH Q92820 1/20 0.41
GNPAT O15228 1/20 0.40

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
SCHEMBL4577277 1.00 FOLH1 (0.47) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL19177132 1.00 FOLH1 (0.47) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL10552726 0.89 FOLH1 (0.47) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL10872510 0.89 FOLH1 (0.47) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL19177184 0.87 FOLH1 (0.40) FOLH1NAALAD2RIMKLATHRBPLA2G2C
SCHEMBL19177136 0.86 FOLH1 (0.50) FOLH1ALDH1A1
SCHEMBL12064029 0.86 SMN1; SMN2 (0.45) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.86 SMN1; SMN2 (0.45) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.86 SMN1; SMN2 (0.45) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL11124586 0.85 L3MBTL1 (0.56) FOLH1NAALAD2RIMKLAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284872-A Nitrato alkanoic acid derivatives, methods for their production, pharmaceutical compositions containing the derivatives and medicinal uses thereof SCHWARZ PHARMA AG (DE) 1994-02-08 US claimed
US-20240103005-A1 N-ACRYLOYLINDOLES AND METHODS OF USE VERSITECH LIMITED (CN) 2024-03-28 US disclosed
CN-117126096-A N-acryloylindoles and methods of use 香港大学 2023-11-28 CN disclosed
EP-1414432-A4 METHODS OF USE FOR NOVEL SULFUR CONTAINING ORGANIC NITRATE COMPOUNDS NITROMED INC (US) 2008-01-09 EP disclosed
US-20040152753-A1 Methods of use for novel sulfur containing organic nitrate compounds NITROMED, INC. 2004-08-05 US disclosed
EP-1414432-A2 METHODS OF USE FOR NOVEL SULFUR CONTAINING ORGANIC NITRATE COMPOUNDS Nitromed, Inc. (US) 2004-05-06 EP disclosed
WO-2003013432-A2 METHODS OF USE FOR NOVEL SULFUR CONTAINING ORGANIC NITRATE COMPOUNDS NITROMED, INC. (US) 2003-02-20 WO disclosed
US-5284872-A Nitrato alkanoic acid derivatives, methods for their production, pharmaceutical compositions containing the derivatives and medicinal uses thereof SCHWARZ PHARMA AG (DE) 1994-02-08 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 (2 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-20240103005-A1 N-ACRYLOYLINDOLES AND METHODS OF USE NAT1, DDIT3, ACR FOLH1 3147/4885NAALAD2 676/4885RIMKLA 1239/4885
US-20040152753-A1 Methods of use for novel sulfur containing organic nitrate compounds PTGS2, NOS2, PTGS1 FOLH1 2150/4885NAALAD2 4526/4885RIMKLA 1283/4885

“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.