SCHEMBL21787533

SCHEMBL21787533

CCC(CO)(CO)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
EGLN1 Q9GZT9 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CTH P32929 1/20 0.33
ALDH1A1 P00352 3/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PLA2G2A P14555 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL14420949 0.87 FFAR3 (0.40) FFAR3EGLN1CTHALDH1A1CYP2D6
SCHEMBL42019 0.85 LDHA (0.37) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL412337 0.85 LDHA (0.37) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL29973268 0.82 LDHA (0.35) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL31553566 0.82 LDHA (0.35) EGLN1CTHALDH1A1LMNAMAPT
Ammonia Solution, Strong SCHEMBL23014704 0.82 LDHA (0.35) EGLN1CTHALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL29059552 0.82 RAB9A (0.36) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL10490033 0.82 LDHA (0.35) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL3911509 0.82 LDHA (0.35) EGLN1CTHALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4920306 0.82 RAB9A (0.36) EGLN1CTHALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295195-A1 ANTIMICROBIAL ORGANOSILANES Tipikos Pharmaceuticals, Inc. (US) 2023-09-21 US disclosed
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 (3 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-20230295195-A1 ANTIMICROBIAL ORGANOSILANES ARG1, ACMSD, AAAS FFAR3 4086/4885EGLN1 903/4885HRH3 790/4885
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FFAR3 4310/4885EGLN1 3736/4885HRH3 431/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP FFAR3 4301/4885EGLN1 3729/4885HRH3 430/4885

“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.