SCHEMBL21600740

SCHEMBL21600740

CCC[C@H]1COC(=O)C1S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
GRM2 Q14416 1/20 0.34
FBP1 P09467 1/20 0.34
HTR6 P50406 5/20 0.34
PGR P06401 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL21600737 0.85 PSEN1 (0.40) MMP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL21600709 0.84 PSIP1 (0.36) ALDH1A1HTR2A
SCHEMBL21600738 0.83 ALDH1A1 (0.39) ALDH1A1GRM2HTR6NFE2L2
SCHEMBL29457729 0.81 TSHR (0.51) ALDH1A1
SCHEMBL21600726 0.81 TSHR (0.51) ALDH1A1
SCHEMBL21600743 0.78 CYP3A4 (0.37) MEN1KMT2AALDH1A1
SCHEMBL30662156 0.78 CYP3A4 (0.37) MEN1KMT2AALDH1A1
SCHEMBL21600727 0.78 NAPRT (0.37) MEN1KMT2AALDH1A1HTR2A
SCHEMBL29457722 0.78 NAPRT (0.37) MEN1KMT2AALDH1A1HTR2A
SCHEMBL23142584 0.78 MCOLN3 (0.35) ALDH1A1HTR2AHTR2CKDM2B

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 MMP2 2377/4885MEN1 4199/4885KMT2A 2172/4885

“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.