SCHEMBL23488140

SCHEMBL23488140

CC(C)C(Br)C(=O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.37
MMP8 P22894 3/20 0.37
MMP2 P08253 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP9 P14780 1/20 0.37
CA9 Q16790 1/20 0.37
LAP3 P28838 1/20 0.35
MMP3 P08254 2/20 0.32
CYP2C19 P33261 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
SCHEMBL22856775 1.00 MMP1 (0.37) MMP1MMP8MMP2CA12CA1
SCHEMBL2990208 0.75 MMP2 (0.42) MMP1MMP8MMP2CA12CA1
SCHEMBL8383247 0.74 MMP2 (0.46) MMP1MMP8MMP2CA12CA1
SCHEMBL16987207 0.72 MMP1 (0.40) MMP1MMP8MMP2CA12CA1
SCHEMBL22856773 0.72 PPARD (0.35) CA12CA1CA2CA9CYP2C19
SCHEMBL2456836 0.71
SCHEMBL3469330 0.71
SCHEMBL2916525 0.69 MMP2 (0.42) MMP1MMP8MMP2CA12CA1
SCHEMBL7643526 0.68 LAP3 (0.52) MMP1MMP8MMP2CA12CA1
SCHEMBL7643520 0.68 LAP3 (0.52) MMP1MMP8MMP2CA12CA1

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-11084836-B2 Compositions useful in therapy of autophagy-related pathologies, and methods of making and using the same THE UNIVERSITY OF TOLEDO (US) 2021-08-10 US disclosed
US-20210171553-A1 COMPOSITIONS USEFUL IN THERAPY OF AUTOPHAGY-RELATED PATHOLOGIES, AND METHODS OF MAKING AND USING THE SAME THE UNIVERSITY OF TOLEDO (US) 2021-06-10 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-11084836-B2 Compositions useful in therapy of autophagy-related pathologies, and methods of making and using the same TFEB, SQSTM1, BECN1 MMP1 4548/4885MMP8 3826/4885MMP2 4831/4885
US-20210171553-A1 COMPOSITIONS USEFUL IN THERAPY OF AUTOPHAGY-RELATED PATHOLOGIES, AND METHODS OF MAKING AND USING THE SAME TFEB, BECN1, SQSTM1 MMP1 3046/4885MMP8 1985/4885MMP2 4276/4885

“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.