SCHEMBL21241387

SCHEMBL21241387

CC(O)c1cc(SC#N)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALOX15 P16050 3/20 0.42
HPN P05981 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.36
CYP3A4 P08684 4/20 0.36
TSHR P16473 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
BLM P54132 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
RGS12 O14924 2/20 0.36
GMNN O75496 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL647421 0.84 MAPT (0.59) MAPTALOX15HPNSIRT5SMN1; SMN2
SCHEMBL30341711 0.82 MAPT (0.48) MAPTALOX15HPNSIRT5SMN1; SMN2
SCHEMBL21241383 0.82 MAPT (0.48) MAPTALOX15HPNSIRT5SMN1; SMN2
SCHEMBL13268589 0.74 GABRA1 (0.48) MAPTALOX15HPNSIRT5SMN1; SMN2
SCHEMBL4676830 0.73 GABRA1 (0.52) CYP3A4TSHRCYP1A2ALDH1A1BLM
SCHEMBL11330818 0.72 SMN1; SMN2 (0.63) MAPTALOX15HPNSIRT5SMN1; SMN2
SCHEMBL22753830 0.72 HPN (0.33) MAPTALOX15HPNSIRT5
SCHEMBL21241549 0.72 MAPT (0.45) MAPTALOX15HPNSIRT5SMN1; SMN2
SCHEMBL21241382 0.70 CA2 (0.42) MAPTALOX15HPNSIRT5SMN1; SMN2
SCHEMBL3132119 0.70 HPN (0.50) MAPTALOX15HPNSIRT5SMN1; SMN2

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 7 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-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.