SCHEMBL21600730

SCHEMBL21600730

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.42
PKM P14618 3/20 0.41
MMP1 P03956 3/20 0.40
MMP8 P22894 2/20 0.40
MMP2 P08253 4/20 0.38
MMP9 P14780 3/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
PKLR P30613 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL21600738 0.85 ALDH1A1 (0.39) PKMALDH1A1PKLR
SCHEMBL30662156 0.85 CYP3A4 (0.37) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21600743 0.85 CYP3A4 (0.37) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21600725 0.84 DDB1 (0.41) MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL21600717 0.84 L3MBTL1 (0.38) MMP2LMNAALDH1A1HTT
SCHEMBL24246859 0.84 GAA (0.38) MMP2LMNASMN1; SMN2ALDH1A1
SCHEMBL21600737 0.84 PSEN1 (0.40) MMP2LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL21600709 0.84 PSIP1 (0.36) PKMLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL29457734 0.83 CA2 (0.42) LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL24246845 0.82 PTGS2 (0.36) MMP13MMP1MMP8MMP2MMP9

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 MMP13 2424/4885PKM 32/4885MMP1 4041/4885

“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.