SCHEMBL21600709

SCHEMBL21600709

CCC[C@H]1COC(=O)C1S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.36
MAPT P10636 2/20 0.34
CTSB P07858 1/20 0.34
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PLA2G6 O60733 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
PLA2G4A P47712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.32
ACHE P22303 1/20 0.32
ABCB1 P08183 1/20 0.32

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
SCHEMBL24246845 0.92 PTGS2 (0.36) ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL30662156 0.87 CYP3A4 (0.37) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL21600743 0.87 CYP3A4 (0.37) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL23181368 0.86 PSIP1 (0.34) PSIP1CYP19A1PLA2G6GAAPKM
SCHEMBL21600725 0.86 DDB1 (0.41) MAPTCYP19A1ALDH1A1SMN1; SMN2HTR2A
SCHEMBL24246859 0.86 GAA (0.38) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL21600737 0.86 PSEN1 (0.40) ALDH1A1SMN1; SMN2LMNAHTR2AACHE
SCHEMBL21600717 0.86 L3MBTL1 (0.38) ALDH1A1LMNA
SCHEMBL29457734 0.85 CA2 (0.42) CYP19A1ALDH1A1SMN1; SMN2LMNAHTR2A
SCHEMBL21600727 0.84 NAPRT (0.37) MAPTALDH1A1GAASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247977-B2 Compound and use thereof in synthesis of brivaracetam intermediate and crude drug FUJIAN HAIXI PHARMACEUTICALS CO., LTD. (CN) 2022-02-15 US disclosed
US-11247977-B2 Compound and use thereof in synthesis of brivaracetam intermediate and crude drug FUJIAN HAIXI PHARMACEUTICALS CO., LTD. (CN) 2022-02-15 US disclosed
EP-3798211-A1 COMPOUND AND USE THEREOF IN SYNTHESIS OF BRIVARACETAM INTERMEDIATE AND CRUDE DRUG Fujian Haixi Pharmaceuticals Co., Ltd (CN) 2021-03-31 EP disclosed
WO-2019242692-A1 COMPOUND AND USE THEREOF IN SYNTHESIS OF BRIVARACETAM INTERMEDIATE AND CRUDE DRUG 福建海西新药创制有限公司 2019-12-26 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 (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-11247977-B2 Compound and use thereof in synthesis of brivaracetam intermediate and crude drug CYP3A43, POR, CYP2C19 PSIP1 1600/4885MAPT 2783/4885CTSB 3869/4885

“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.