SCHEMBL23378454

SCHEMBL23378454

O=C1N[C@H]2[C@H](CS[C@H]2CCCCS)N1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 6/20 0.72
▸ TDP1 Q9NUW8 6/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ IDE P14735 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ RIN1 Q13671 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ CA12 O43570 7/20 0.47
▸ CA1 P00915 7/20 0.47
▸ CA2 P00918 7/20 0.47
▸ CA9 Q16790 7/20 0.47

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
SCHEMBL12050328 0.98 HLCS (0.73) HLCSTDP1MEN1ABL1LMNA
SCHEMBL29341874 0.98 HLCS (0.73) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10140308 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16141168 0.84 HLCS (0.97) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10038443 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL423924 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16664701 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL12990072 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21769329 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19278027 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA

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-12030864-B2 Small molecule anticancer agents, combinations and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-09 — — US disclosed
US-20210147379-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF University of Florda Research Foundation,Incorporated (US) 2021-05-20 — — 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-20210147379-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF MKI67, TP53, PLK1 HLCS 1943/4885TDP1 1148/4885MEN1 2251/4885
US-12030864-B2 Small molecule anticancer agents, combinations and uses thereof MKI67, TP53, PCNA HLCS 1638/4885TDP1 967/4885MEN1 1485/4885

“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.

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