Sugi Predict

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SCHEMBL21241383

SCHEMBL21241383

CC(O)c1cc(SSc2cc(C(C)O)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HPN P05981 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ CA2 P00918 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP1A2 P05177 4/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ VCAM1 P19320 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GLRA3 O75311 1/20 0.35
▸ GLRB P48167 1/20 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
SCHEMBL30341711 1.00 MAPT (0.48) MAPTALOX15HPNSIRT5CA2
SCHEMBL21241387 0.82 MAPT (0.42) MAPTALOX15HPNSIRT5CA2
SCHEMBL1116345 0.80 ALOX15 (0.71) MAPTALOX15HPNSIRT5CA2
SCHEMBL11330818 0.78 SMN1; SMN2 (0.63) MAPTALOX15HPNSIRT5CA2
SCHEMBL22753830 0.78 HPN (0.33) MAPTALOX15HPNSIRT5
SCHEMBL21241382 0.76 CA2 (0.42) MAPTALOX15HPNSIRT5CA2
SCHEMBL13268589 0.76 GABRA1 (0.48) MAPTALOX15HPNSIRT5CA2
SCHEMBL3132119 0.76 HPN (0.50) MAPTALOX15HPNSIRT5CA2
SCHEMBL8353394 0.74 ALOX15 (0.72) MAPTALOX15HPNSIRT5CA2
SCHEMBL4595518 0.73 CYP2C9 (0.61) MAPTALOX15HPNSIRT5CA2

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 8 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
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 MAPT 2720/4885ALOX15 55/4885HPN 1810/4885
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof PNLIP, FAR1, CETP MAPT 2720/4885ALOX15 55/4885HPN 1810/4885

“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.