SCHEMBL21600738

SCHEMBL21600738

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
MTNR1B P49286 1/20 0.38
GRM2 Q14416 1/20 0.36
MEP1B Q16820 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
HTR6 P50406 1/20 0.36
HTR7 P34969 2/20 0.36
POLB P06746 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP19A1 P11511 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
SCHEMBL21600730 0.85 MMP13 (0.42) ALDH1A1PKMPKLR
SCHEMBL21600740 0.83 MMP2 (0.37) ALDH1A1GRM2HTR6NFE2L2
SCHEMBL21600709 0.82 PSIP1 (0.36) ALDH1A1PKMCYP19A1
SCHEMBL21600726 0.81 TSHR (0.51) ALDH1A1PKMPOLBL3MBTL1
SCHEMBL21600743 0.76 CYP3A4 (0.37) ALDH1A1
SCHEMBL21600727 0.76 NAPRT (0.37) ALDH1A1L3MBTL1
SCHEMBL24246845 0.76 PTGS2 (0.36) ALDH1A1POLB
SCHEMBL21600737 0.75 PSEN1 (0.40) ALDH1A1POLB
SCHEMBL24246859 0.75 GAA (0.38) ALDH1A1GRM2HTR6L3MBTL1CYP19A1
SCHEMBL21600717 0.75 L3MBTL1 (0.38) ALDH1A1GRM2FFAR4L3MBTL1

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 ALDH1A1 1227/4885PKM 32/4885PKLR 243/4885

“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.