SCHEMBL20180970

SCHEMBL20180970

COC(=O)COCCOc1cc(O)c(C2=N[C@@](C)(C(=O)OC)CS2)cc1OCCOCCOc1ccc(C2=N[C@@](C)(C(=O)OC)CS2)c(O)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDK2 Q15119 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
SCHEMBL18197354 0.94 LPAR2 (0.35) LPAR2MEN1KMT2APDK2
SCHEMBL20180882 0.88 HPGD (0.34) MEN1KMT2A
SCHEMBL15029754 0.86 OPRK1 (0.36)
SCHEMBL12841233 0.86 OPRK1 (0.36)
SCHEMBL20175916 0.85 MAPT (0.34) MEN1KMT2A
SCHEMBL18197338 0.85 ALK (0.36) MEN1KMT2A
SCHEMBL18197342 0.85 LPAR2 (0.41) LPAR2MEN1KMT2APDK2
SCHEMBL20180854 0.85 PPARD (0.34) LPAR2MEN1KMT2A
SCHEMBL18197340 0.82 PDE3B (0.40) LPAR2MEN1KMT2APDK2
SCHEMBL20175919 0.81 MAPT (0.42) MEN1KMT2A

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 LPAR2 3108/4885MEN1 741/4885KMT2A 2059/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 LPAR2 3108/4885MEN1 741/4885KMT2A 2059/4885

“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.