SCHEMBL20437114

SCHEMBL20437114

Cc1c(I)cc(CC(C(=O)O)N2C(=O)C(Br)=C(Br)C2=O)cc1I

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
AADAT Q8N5Z0 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17114042 0.90 ALDH1A1 (0.47) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL20437117 0.79 ALDH1A1 (0.59) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL17114021 0.75 POLB (0.71) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL20437112 0.71 MAP3K5 (0.40) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL31531012 0.71 ALDH1A1 (0.63) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL14064744 0.70 SIRT5 (0.65) ALDH1A1KMT2ATSHRCYP2C9CYP2D6
SCHEMBL17114031 0.68 ALDH1A1 (0.45) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL20246861 0.65 ALDH1A1 (0.82) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL29569430 0.64 ALDH1A1 (0.61) ALDH1A1GAAKMT2APOLBAADAT
SCHEMBL478614 0.63 ALDH1A1 (1.00) ALDH1A1GAAKMT2APOLBAADAT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2018-08-02 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 (1 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-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF TPO, DPP3, HSD17B3 ALDH1A1 212/4885GAA 768/4885KMT2A 1358/4885

“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.