SCHEMBL6533633

SCHEMBL6533633

CCCCCC(c1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
NAAA Q02083 2/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ASAH1 Q13510 1/20 0.41

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
SCHEMBL5289685 0.95 POLB (0.48) NAAAPOLBCNR2MEN1CYP2D6
SCHEMBL5320862 0.88 CYP2D6 (0.46) MEN1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL9242744 0.82 POLB (0.51) NAAALCKPPARDZDHHC20ZDHHC2
SCHEMBL30037812 0.82 POLB (0.48) NAAALCKPPARDZDHHC20ZDHHC2
SCHEMBL497439 0.81 CYP2D6 (0.49) POLBMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL22338831 0.81 CYP2D6 (0.49) POLBMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL1162118 0.81 CYP2D6 (0.49) POLBMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL30038528 0.81 LCK (0.47) NAAALCKPPARDZDHHC20ZDHHC2
SCHEMBL17027808 0.81 LCK (0.47) NAAALCKPPARDZDHHC20ZDHHC2
SCHEMBL30038072 0.81 LCK (0.47) NAAALCKPPARDZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050287639-A1 Methods of incorporating amino acid analogs into proteins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-12-29 US disclosed
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP disclosed
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO 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 (1 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-20050287639-A1 Methods of incorporating amino acid analogs into proteins AARS1, GARS1, NSUN3 CSNK1E 2582/4885NAAA 486/4885LCK 3699/4885

“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.