SCHEMBL20437112

SCHEMBL20437112

CCC(C(=O)O)N1C(=O)C(Br)=C(Br)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37

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
SCHEMBL6937699 0.82 ALDH1A1 (0.40) MAP3K5ALDH1A1GAAHPGDPOLB
Hydrochloric Acid SCHEMBL7473828 0.80 ALDH1A1 (0.39) MAP3K5ALDH1A1GAAHPGDPOLB
SCHEMBL17114031 0.80 ALDH1A1 (0.45) MAP3K5ALDH1A1GAAHPGDPOLB
SCHEMBL512864 0.76 ALDH1A1 (0.68) ALDH1A1GAAHPGDPOLBTP53
SCHEMBL32691229 0.76 ALDH1A1 (0.68) ALDH1A1GAAHPGDPOLBTP53
SCHEMBL20835844 0.76 ALDH1A1 (0.68) ALDH1A1GAAHPGDPOLBTP53
SCHEMBL698898 0.73 ALDH1A1 (0.56) ALDH1A1GAAHPGDPOLBMAPT
SCHEMBL964946 0.73 DNMT1 (0.44) ALDH1A1GAAHPGDPOLBTP53
SCHEMBL20437114 0.71 ALDH1A1 (0.46) ALDH1A1GAAPOLBCYP2D6KMT2A
SCHEMBL10023265 0.71 ALDH1A1 (0.36) MAP3K5ALDH1A1GAAHPGDPOLB

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 MAP3K5 1762/4885ALDH1A1 212/4885GAA 768/4885

“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.