SCHEMBL21600726

SCHEMBL21600726

CCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
KCNH2 Q12809 2/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
GAA P10253 1/20 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
SCHEMBL29457729 1.00 TSHR (0.51) TSHRPKMLMNAALDH1A1L3MBTL1
SCHEMBL21600709 0.84 PSIP1 (0.36) PKMLMNAALDH1A1GAA
SCHEMBL24246845 0.82 PTGS2 (0.36) TSHRLMNAALDH1A1POLBGAA
SCHEMBL21600738 0.81 ALDH1A1 (0.39) PKMALDH1A1L3MBTL1POLB
SCHEMBL21600743 0.81 CYP3A4 (0.37) TSHRLMNAALDH1A1GAA
SCHEMBL21600740 0.81 MMP2 (0.37) ALDH1A1
SCHEMBL23142584 0.80 MCOLN3 (0.35) LMNAALDH1A1POLBKCNH2KDM4E
SCHEMBL21600730 0.80 MMP13 (0.42) PKMLMNAALDH1A1
SCHEMBL24246859 0.80 GAA (0.38) TSHRLMNAALDH1A1L3MBTL1GAA
SCHEMBL21600725 0.80 DDB1 (0.41) ALDH1A1L3MBTL1SLC6A2SLC6A3KDM4E

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 2 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
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 TSHR 1675/4885PKM 32/4885LMNA 1944/4885

“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.