SCHEMBL21764740

SCHEMBL21764740

CC(=O)NP(=O)(O)OCCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PLA2G2A P14555 2/20 0.31
TDP1 Q9NUW8 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL9517749 0.81 TSHR (0.35) MMP1MMP8MEN1KMT2AALDH1A1
SCHEMBL21764799 0.79 LPAR3 (0.36) MMP1MEN1KMT2AALDH1A1PLA2G2A
SCHEMBL27907494 0.77 ALDH1A1 (0.34) MMP1MMP8MEN1KMT2AEPHX2
SCHEMBL21764714 0.76 CYP3A4 (0.48) ALDH1A1PLA2G2A
SCHEMBL21764587 0.74 LPAR3 (0.55) PLA2G2A
SCHEMBL19302945 0.74 TSHR (0.40) HSD17B10MMP1MMP8ALDH1A1TDP1
SCHEMBL1270333 0.73 LPAR3 (0.46) MEN1KMT2AALDH1A1
SCHEMBL1173655 0.73 ALDH1A1 (0.41) MAPK1MEN1KMT2AALDH1A1
SCHEMBL21764797 0.73 LPAR3 (0.58) PLA2G2A
SCHEMBL9258322 0.71 ALDH1A1 (0.39) MAPK1PKMMEN1KMT2AALDH1A1

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 MAPK1 3744/4885PKM 3921/4885HSD17B10 3875/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 MAPK1 4662/4885PKM 1413/4885HSD17B10 3099/4885

“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.