SCHEMBL29401092

SCHEMBL29401092

OCc1cc(O)c2sccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 2/20 0.33
CASP6 P55212 1/20 0.33
CA2 P00918 2/20 0.33
TTR P02766 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL21437229 1.00 ACHE (0.37) ACHEPARP1MEN1MAOAMAOB
SCHEMBL18508720 0.83 TRPA1 (0.44) CYP2A6MAPTXDHSLC22A12CNR2
SCHEMBL23616677 0.79 S1PR4 (0.39) ACHEPARP1CYP2A6PTGS1
SCHEMBL21438322 0.79 PARP1 (0.36) ACHEPARP1CYP2A6CA2PTGS1
SCHEMBL15018796 0.75 NQO2 (0.40) MEN1KMT2ACYP2A6KDM4ECA2
SCHEMBL22607007 0.75 PDE4A (0.38) MEN1KMT2ACA2MAPT
SCHEMBL30395946 0.75 PDE4A (0.38) MEN1KMT2ACA2MAPT
SCHEMBL4847264 0.74 CA9 (0.38) MEN1KMT2ACYP2A6KDM4EALDH1A1
SCHEMBL22607042 0.72 SELL (0.41) ACHEMEN1MAOAMAOBEPHX2
SCHEMBL5559032 0.72 NSD1 (0.34) MAOAMAOBKDM4EMAPTXDH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111225907-B Process for preparing benzothien-2 yl boric acid/borate 拜耳制药股份公司 2023-05-26 CN disclosed
US-20220356194-A1 PROCESS FOR PREPARING BENZOTHIOPHEN-2YL BORONATE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-11-10 US disclosed
US-11274110-B2 Process for preparing benzothiophen-2yl boronate BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-03-15 US 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 (2 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-20220356194-A1 PROCESS FOR PREPARING BENZOTHIOPHEN-2YL BORONATE BPGM, BRCA1, BRAP ACHE 4734/4885PARP1 1363/4885MEN1 144/4885
US-11274110-B2 Process for preparing benzothiophen-2yl boronate BPGM, BRCA1, BRAP ACHE 4734/4885PARP1 1363/4885MEN1 144/4885

“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.