SCHEMBL21600737

SCHEMBL21600737

CCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.40
PSEN2 P49810 7/20 0.40
APH1B Q8WW43 7/20 0.40
NCSTN Q92542 7/20 0.40
APH1A Q96BI3 7/20 0.40
PSENEN Q9NZ42 7/20 0.40
APP P05067 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21600743 0.88 CYP3A4 (0.37) ACHEALDH1A1CYP3A4LMNATSHR
SCHEMBL30662156 0.88 CYP3A4 (0.37) ACHEALDH1A1CYP3A4LMNATSHR
SCHEMBL23142584 0.87 MCOLN3 (0.35) ACHEALDH1A1POLBLMNAHTR2A
SCHEMBL21600717 0.86 L3MBTL1 (0.38) ALDH1A1LMNATSHRMAPK1MEN1
SCHEMBL21600725 0.86 DDB1 (0.41) SLC6A3ALDH1A1CYP3A4HTR2ASMN1; SMN2
SCHEMBL24246859 0.86 GAA (0.38) ALDH1A1CYP3A4LMNATSHRSMN1; SMN2
SCHEMBL21600709 0.86 PSIP1 (0.36) ACHEALDH1A1LMNAHTR2ASMN1; SMN2
SCHEMBL29457734 0.85 CA2 (0.42) SLC6A3ALDH1A1CYP3A4LMNAHTR2A
SCHEMBL21600740 0.85 MMP2 (0.37) ALDH1A1HTR2AMEN1KMT2AMMP2
SCHEMBL24246845 0.84 PTGS2 (0.36) ALDH1A1CYP3A4POLBLMNATSHR

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 PSEN1 2812/4885PSEN2 2365/4885APH1B 2429/4885

“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.