SCHEMBL22856773

SCHEMBL22856773

CCOP(=O)(O)C(=O)C(Br)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
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
SCHEMBL23488105 0.85 FPR2 (0.33) PPARDTSHRTP53TDP1CA12
SCHEMBL22856775 0.72 MMP1 (0.37) CA12CA1CA2CA9CYP2C19
SCHEMBL23488140 0.72 MMP1 (0.37) CA12CA1CA2CA9CYP2C19
SCHEMBL4486615 0.68
SCHEMBL13986850 0.68
SCHEMBL10889980 0.66 TSHR (0.43) PPARDTSHRTP53TDP1CA12
Fosamine SCHEMBL8535758 0.66 TSHR (0.43) PPARDTSHRTP53TDP1CA12
SCHEMBL1733288 0.66 ALDH1A1 (0.43) GAACYP3A4CYP2C19
SCHEMBL4453622 0.66 TSHR (0.43) PPARDTSHRTP53TDP1CA12
SCHEMBL89146 0.66 ALDH1A1 (0.43) GAACYP3A4CYP2C19

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-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
US-10882831-B2 Compositions useful in therapy of autophagy-related pathologies, and methods of making and using the same THE UNIVERSITY OF TOLEDO (US) 2021-01-05 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 (3 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 PPARD 1360/4885TSHR 3379/4885TP53 477/4885
US-20210171553-A1 COMPOSITIONS USEFUL IN THERAPY OF AUTOPHAGY-RELATED PATHOLOGIES, AND METHODS OF MAKING AND USING THE SAME TFEB, BECN1, SQSTM1 PPARD 2683/4885TSHR 3991/4885TP53 433/4885
US-10882831-B2 Compositions useful in therapy of autophagy-related pathologies, and methods of making and using the same TFEB, BECN1, SQSTM1 PPARD 2922/4885TSHR 3997/4885TP53 499/4885

“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.