SCHEMBL21787485

SCHEMBL21787485

COCC(C)(C)NCC(CC(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CPA1 P15085 2/20 0.32
CPB1 P15086 1/20 0.32
CPA3 P15088 1/20 0.32
CPB2 Q96IY4 1/20 0.32
DPP4 P27487 2/20 0.31
SLC2A1 P11166 1/20 0.31
MME P08473 2/20 0.30
GRK3 P35626 1/20 0.30

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
SCHEMBL12227947 0.81 FOLH1 (0.39) FOLH1MEN1GAAKMT2ATDP1
SCHEMBL21787486 0.81 FOLH1 (0.34) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL21787488 0.74 FOLH1 (0.39) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL11307033 0.71 FOLH1 (0.47) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL12227950 0.69 FOLH1 (0.42) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL12227951 0.68 FOLH1 (0.37) FOLH1SLC6A3TDP1CPA1CPB1
SCHEMBL24820622 0.68 GRK3 (0.33) GRK3
SCHEMBL18842300 0.68 FOLH1 (0.48) FOLH1SLC6A3TDP1CPA1CPB1
SCHEMBL4864369 0.68 FOLH1 (0.48) FOLH1SLC6A3TDP1CPA1CPB1
SCHEMBL10259513 0.66 FOLH1 (0.46) FOLH1GAATDP1CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2020-03-05 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-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FOLH1 685/4885MEN1 9/4885GAA 1744/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP FOLH1 714/4885MEN1 9/4885GAA 1746/4885

“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.