SCHEMBL11293073

SCHEMBL11293073

C=C(NCC(=O)O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
APEX1 P27695 1/20 0.38
ECE1 P42892 1/20 0.36
PLA2G2A P14555 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
POLB P06746 2/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32

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
SCHEMBL24709385 0.85 CTH (0.44) CTHEGLN1TDP1ALDH1A1MAPT
SCHEMBL2185099 0.79 EGLN1 (0.41) CTHEGLN1TDP1ALDH1A1MAPT
SCHEMBL10391331 0.79
SCHEMBL65636 0.75 EGLN1 (0.54) CTHEGLN1TDP1ALDH1A1MAPT
SCHEMBL597184 0.74 EGLN1 (0.58) CTHEGLN1TDP1ALDH1A1MAPT
Aceturic Acid SCHEMBL28850599 0.74 CTH (0.48) CTHEGLN1TDP1ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL18139583 0.73 EGLN1 (0.52) CTHEGLN1TDP1ALDH1A1MAPT
Aceturic Acid SCHEMBL42918 0.73 CTH (0.52) CTHEGLN1TDP1ALDH1A1MAPT
Aceturic Acid SCHEMBL5876 0.73
SCHEMBL4943507 0.72 EGLN1 (0.56) CTHEGLN1TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127769-A1 UNSATURATED AMINO ACIDS EVONIK DEGUSSA GMBH (DE) 2019-05-02 US disclosed
EP-3452607-A1 UNSATURATED AMINO ACIDS Evonik Degussa GmbH (DE) 2019-03-13 EP disclosed
WO-2017191195-A1 UNSATURATED AMINO ACIDS EVONIK DEGUSSA GMBH (DE) 2017-11-09 WO disclosed
EP-0018415-B1 PROCESS FOR PRODUCING ALKYL 4-(ALKOXY METHYL PHOSPHINOYL)BUTYRATES AND ALKYL-(2-AMINO-4-(ALKOXY METHYL PHOSPHINOYL)) BUTYRATES MEIJI SEIKA KAISHA LTD. (JP) 1982-10-13 EP disclosed
EP-0018415-A1 Process for producing alkyl 4-(alkoxy methyl phosphinoyl)butyrates and alkyl-(2-amino-4-(alkoxy methyl phosphinoyl)) butyrates MEIJI SEIKA KAISHA LTD. (JP) 1980-11-12 EP 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-20190127769-A1 UNSATURATED AMINO ACIDS POR, FADS1, MTR CTH 483/4885EGLN1 560/4885TDP1 3931/4885

“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.