SCHEMBL21241382

SCHEMBL21241382

CC(O)c1cc(S)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 4/20 0.37
MAPT P10636 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALOX15 P16050 2/20 0.37
HPN P05981 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
GAA P10253 3/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL31196986 0.87 CA2 (0.43) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL224048 0.80 CA2 (0.64) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL11330818 0.79 SMN1; SMN2 (0.63) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL13268589 0.78 GABRA1 (0.48) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL30341711 0.76 MAPT (0.48) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL21241383 0.76 MAPT (0.48) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL17309883 0.74 CA2 (0.50) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL891539 0.72 CYP2C9 (0.63) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL31196962 0.72 CYP2C9 (0.63) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL21241387 0.70 MAPT (0.42) CA2CA1SMN1; SMN2ALDH1A1POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof DEMOTECH.INC. (CN) 2023-05-16 US disclosed
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof DEMOTECH.INC. (CN) 2023-05-16 US disclosed
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof DEMOTECH.INC. (CN) 2023-05-16 US disclosed
US-20210040052-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2021-02-11 US disclosed
US-20210040052-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2021-02-11 US disclosed
EP-3747863-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2020-12-09 EP disclosed
EP-3747863-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2020-12-09 EP disclosed
CN-108299263-B Probucol derivative and preparation method and application thereof 北京德默高科医药技术有限公司 2020-12-01 CN disclosed
WO-2019149091-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 北京德默高科医药技术有限公司 2019-08-08 WO 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-20210040052-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF PNLIP, FAR1, CETP CA2 4494/4885CA1 4508/4885SMN1; SMN2 3302/4885
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof PNLIP, FAR1, CETP CA2 4494/4885CA1 4508/4885SMN1; SMN2 3302/4885

“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.