SCHEMBL21764722

SCHEMBL21764722

CC(=O)OP(N)(=O)OCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
LAP3 P28838 1/20 0.33
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL21764738 0.81 MEN1 (0.33) MEN1KMT2AALDH1A1TDP1
SCHEMBL21764584 0.80
SCHEMBL21764595 0.78 TSHR (0.36) TSHRLAP3CYP3A4GAAMEN1
SCHEMBL21764583 0.73 ALDH1A1 (0.35) TSHRCYP3A4MEN1KMT2AALDH1A1
SCHEMBL21764561 0.72 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL11860467 0.72 TSHR (0.32) TSHR
SCHEMBL21764713 0.71 CYP3A4 (0.48) TSHRCYP3A4ALDH1A1
SCHEMBL21764749 0.71 BTN3A1 (0.47) ALDH1A1
SCHEMBL4609160 0.70 TSHR (0.40) TSHRLAP3CYP3A4GAAMEN1
SCHEMBL21764589 0.69 LPAR3 (0.50) TSHRCYP3A4ALDH1A1

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
EP-3474860-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE AEQUOR INC (US) 2021-12-15 EP disclosed
US-20200060280-A1 Antimicrobial Compounds and Methods of Use AEQUOR, INC. 2020-02-27 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 (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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN TSHR 1132/4885LAP3 2454/4885CYP3A4 2361/4885

“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.