SCHEMBL31055049

SCHEMBL31055049

COC(=O)c1ccc(-c2cccs2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 4/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
LMNA P02545 3/20 0.68
MAPT P10636 3/20 0.68
GAA P10253 2/20 0.68
GLA P06280 1/20 0.68
HDAC1 Q13547 1/20 0.66
NPC1 O15118 5/20 0.61
KMT2A Q03164 5/20 0.61
RAB9A P51151 4/20 0.61
MEN1 O00255 3/20 0.61
TP53 P04637 2/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
NFKB2 Q00653 1/20 0.61

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
SCHEMBL1235256 0.86 LMNA (0.60) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL1761399 0.82 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL14582053 0.81 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL6978748 0.81 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL4280023 0.81 ALDH1A1 (0.69) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL4319368 0.81 ALDH1A1 (1.00) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL498577 0.81 ALDH1A1 (0.69) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7870469 0.80 ALDH1A1 (0.89) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL8572753 0.79 ALDH1A1 (0.96) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL5903723 0.79 HDAC1 (1.00) KDM4EALDH1A1L3MBTL1LMNAMAPT

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-20240228471-A1 MOF, MOF LINKERS AND MANUFACTURING METHOD THEREOF UNIVERSITEIT ANTWERPEN (BE) 2024-07-11 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-20240228471-A1 MOF, MOF LINKERS AND MANUFACTURING METHOD THEREOF ILK, MTCL3, FTO KDM4E 146/4885ALDH1A1 979/4885L3MBTL1 999/4885

“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.