SCHEMBL21740970

SCHEMBL21740970

COC(=O)c1ccc(OCSC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
RAB9A P51151 4/20 0.62
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
STS P08842 1/20 0.50

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
SCHEMBL21753359 0.84 MAPT (0.74) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL269377 0.83 MAPT (0.72) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL1951546 0.82 MAPT (1.00) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL9666971 0.82 KMT2A (0.53) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14516115 0.81 MAPT (0.70) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL27579857 0.81 PKM (0.58) RAB9ACA1CA2SMN1; SMN2NPC1
SCHEMBL10295156 0.81 MAPT (0.75) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL2469151 0.81 MAPT (0.89) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL204175 0.81 MAPT (0.75) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL4751948 0.80 PLK1 (0.69) RAB9ACA1CA2SMN1; SMN2NPC1

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-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS MAPT 4169/4885RAB9A 36/4885CA1 4870/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS MAPT 4169/4885RAB9A 36/4885CA1 4870/4885

“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.