SCHEMBL21787488

SCHEMBL21787488

CC(CO)(CO)NCC(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.39
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MME P08473 2/20 0.36
LTA4H P09960 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
MMP2 P08253 3/20 0.31
MMP3 P08254 3/20 0.31
MMP1 P03956 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP7 P09237 1/20 0.31

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 0.85 FOLH1 (0.39) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL12227950 0.81 FOLH1 (0.42) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL12227951 0.79 FOLH1 (0.37) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL21787487 0.76 FOLH1 (0.35) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL11307033 0.75 FOLH1 (0.47) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL21787486 0.75 FOLH1 (0.34) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL21787520 0.75 APAF1 (0.38) FOLH1
SCHEMBL21787485 0.74 FOLH1 (0.36) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL18842300 0.71 FOLH1 (0.48) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL21787534 0.71 HMGCR (0.36) TDP1

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 685/4885CPA1 380/4885CPB1 202/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP FOLH1 714/4885CPA1 407/4885CPB1 213/4885

“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.