SCHEMBL21764934

SCHEMBL21764934

CC(=O)NP(=O)(O)OCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.34
ACACB O00763 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 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
SCHEMBL19302945 0.74 TSHR (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL21764799 0.71 LPAR3 (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL11520489 0.71
SCHEMBL9517749 0.69 TSHR (0.35) MMP1MMP8
SCHEMBL21764714 0.68 CYP3A4 (0.48) MMP2
SCHEMBL21764750 0.68 BTN3A1 (0.52) POLA1
SCHEMBL21764940 0.67 SLC1A3 (0.33)
SCHEMBL21764740 0.67 MAPK1 (0.36) MMP1MMP8
SCHEMBL21764587 0.67 LPAR3 (0.55)
SCHEMBL5058561 0.67 ACHE (0.43) CA12CA1CA2MMP1MMP2

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
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 POLA1 3300/4885ACACB 4358/4885CA12 3598/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 POLA1 4156/4885ACACB 2123/4885CA12 1978/4885

“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.