SCHEMBL22366333

SCHEMBL22366333

CCOC(=O)c1cc(OC(C)=O)c2scc(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
HCRTR1 O43613 2/20 0.39
HSD17B2 P37059 1/20 0.39
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 3/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 3/20 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
SCHEMBL642078 0.79 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL642932 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL692586 0.75 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL644036 0.74 TSHR (0.43) CA12CA1CA2CA7CA9
SCHEMBL644740 0.73 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL26412235 0.73 HTT (0.45) CA12CA1CA2CA7CA9
SCHEMBL19436185 0.72 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10394316 0.71 HSD17B2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL28366323 0.71 NPSR1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL24613975 0.71 POLB (0.55) CA12CA1CA2CA7CA9

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 6 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
US-20200339606-A1 PROCESS FOR PREPARING BENZOTHIOPHEN-2YL BORONATE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-10-29 US disclosed
EP-3700894-A1 PROCESS FOR PREPARING BENZOTHIOPHEN-2YL BORONATE Bayer Pharma Aktiengesellschaft (DE) 2020-09-02 EP disclosed
CN-111225907-A Process for preparing benzothien-2-yl boronic acids/borates 拜耳制药股份公司 2020-06-02 CN 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 (3 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 CA12 869/4885CA1 4179/4885CA2 1240/4885
US-20200339606-A1 PROCESS FOR PREPARING BENZOTHIOPHEN-2YL BORONATE BPGM, BRCA1, BRAP CA12 869/4885CA1 4179/4885CA2 1240/4885
US-11274110-B2 Process for preparing benzothiophen-2yl boronate BPGM, BRCA1, BRAP CA12 869/4885CA1 4179/4885CA2 1240/4885

“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.