SCHEMBL24217825

SCHEMBL24217825

CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 4/20 0.71
▸ MAOB P27338 2/20 0.71
▸ MAOA P21397 1/20 0.71
▸ PTPN12 Q05209 1/20 0.66
▸ PTPN22 Q9Y2R2 1/20 0.66
▸ POLB P06746 2/20 0.64
▸ DUSP22 Q9NRW4 3/20 0.62
▸ MAPT P10636 1/20 0.62
▸ PTPN1 P18031 1/20 0.62
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CFTR P13569 2/20 0.60
▸ HSD17B3 P37058 1/20 0.59

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
SCHEMBL24217823 0.87 CISD1 (0.70) CISD1MAOBMAOAPTPN12PTPN22
SCHEMBL3757080 0.85 CISD1 (0.63) CISD1MAOBMAOAPOLBMAPT
SCHEMBL3757078 0.85 CISD1 (0.63) CISD1MAOBMAOAPOLBMAPT
SCHEMBL17397856 0.84 CISD1 (0.73) CISD1MAOBMAOAPOLBMAPT
SCHEMBL17397857 0.84 CISD1 (0.73) CISD1MAOBMAOAPOLBMAPT
SCHEMBL17397858 0.84 CISD1 (0.73) CISD1MAOBMAOAPOLBMAPT
SCHEMBL12333891 0.83 CISD1 (1.00) CISD1MAOBMAOAPOLBMAPT
SCHEMBL11778921 0.83 CISD1 (1.00) CISD1MAOBMAOAPOLBMAPT
SCHEMBL10801539 0.83 CISD1 (1.00) CISD1MAOBMAOAPOLBMAPT
SCHEMBL1125306 0.82 CISD1 (0.75) CISD1MAOBMAOAMAPTMEN1

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-20220024944-A1 COMPOUNDS TARGETING MUTANT CALRETICULIN MYELOPRO DIAGNOSTICS AND RESEARCH GMBH (AT) 2022-01-27 — — 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-20220024944-A1 COMPOUNDS TARGETING MUTANT CALRETICULIN CALR, MCL1, CALD1 CISD1 388/4885MAOB 4787/4885MAOA 4831/4885

“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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