SCHEMBL20180908

SCHEMBL20180908

CCOC(=O)C(C)(CS)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.40
MMP8 P22894 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB11 O95342 1/20 0.34

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
SCHEMBL10171878 0.83 MAPT (0.46) PKMMMP8KDM4EMGAMGAA
SCHEMBL19139306 0.74 MMP8 (0.48) PKMMMP8KDM4EMGAMGAA
SCHEMBL2879622 0.74 CYP4F2 (0.42) PKMMMP8KDM4EMGAMGAA
SCHEMBL27968611 0.74 CYP4F2 (0.52) PKMMMP8KDM4EMGAMGAA
SCHEMBL4763665 0.74 PKM (0.44) PKMMMP8KDM4EMGAMGAA
SCHEMBL20799320 0.72
SCHEMBL18949753 0.72
SCHEMBL31369806 0.72
SCHEMBL19501980 0.72
SCHEMBL20180910 0.72

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-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 PKM 508/4885MMP8 2434/4885KDM4E 3749/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 PKM 508/4885MMP8 2434/4885KDM4E 3749/4885

“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.