SCHEMBL21764940

SCHEMBL21764940

CC(=O)OP(N)(=O)OCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
S1PR1 P21453 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
SCHEMBL21764583 0.71 ALDH1A1 (0.35)
SCHEMBL20168519 0.70 CA4 (0.35) SLC1A3SLC1A2SLC1A1PARP15PARP10
SCHEMBL21764573 0.70 CYP3A4 (0.47)
SCHEMBL21764722 0.69 TSHR (0.35)
SCHEMBL21764576 0.69 CYP3A4 (0.45)
SCHEMBL21764749 0.68 BTN3A1 (0.47)
SCHEMBL21764713 0.68 CYP3A4 (0.48)
SCHEMBL21764589 0.67 LPAR3 (0.50)
SCHEMBL21764738 0.67 MEN1 (0.33)
SCHEMBL21764934 0.67 POLA1 (0.34)

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-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
WO-2022081594-A1 ANTIMICROBIAL COMBINATION THERAPEUTICS AEQUOR, INC. (US) 2022-04-21 WO disclosed
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 (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 SLC1A3 3822/4885SLC1A2 4020/4885SLC1A1 3626/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 SLC1A3 919/4885SLC1A2 1045/4885SLC1A1 830/4885

“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.