SCHEMBL21764595

SCHEMBL21764595

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
LAP3 P28838 1/20 0.34
PGD P52209 2/20 0.33
PLA2G2A P14555 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL269622 0.82 CYP3A4 (0.38) TSHRLAP3CYP3A4GAAPGK1
SCHEMBL1396965 0.80 CYP3A4 (0.37) TSHRLAP3CYP3A4GAAPGK1
SCHEMBL11758345 0.80 CYP3A4 (0.37) TSHRLAP3CYP3A4GAAPGK1
SCHEMBL11142547 0.78 BTN3A1 (0.38) LAP3CYP3A4GAAMEN1KMT2A
SCHEMBL21764722 0.78 TSHR (0.35) TSHRLAP3CYP3A4GAAMEN1
SCHEMBL27651385 0.77 SMN1; SMN2 (0.41) PGDPLA2G2APGK1PGK2MEN1
SCHEMBL11295657 0.76 PLA2G2A (0.42) TSHRLAP3PLA2G2ACYP3A4GAA
SCHEMBL1290380 0.76 TSHR (0.42) TSHR
SCHEMBL3951836 0.74 BTN3A1 (0.48) BLMLPAR1LPAR3
SCHEMBL11201428 0.74 CYP3A4 (0.34) TSHRLAP3CYP3A4GAAPGK1

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-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
US-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US 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 (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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN TSHR 1132/4885LAP3 2454/4885PGD 2414/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 TSHR 1984/4885LAP3 1301/4885PGD 1401/4885

“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.