SCHEMBL20745855

SCHEMBL20745855

COSC.O=[SH](=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.33
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.31
PDE4B Q07343 1/20 0.30

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
Benzene SCHEMBL28228740 0.80 BBOX1 (0.37) CA4TSHRCA2
Fluoromethane SCHEMBL27524847 0.78 TP53 (0.35) CA4TSHRCA2
SCHEMBL29127374 0.77 BBOX1 (0.35) CA4TSHRCA2
Water SCHEMBL27621442 0.77 BBOX1 (0.35) CA4TSHRCA2
Hydrochloric Acid SCHEMBL27735116 0.77 BBOX1 (0.35) CA4TSHRCA2
Hydrochloric Acid SCHEMBL28762594 0.77 BBOX1 (0.35) CA4TSHRCA2
SCHEMBL27265066 0.77 BBOX1 (0.35) CA4TSHRCA2
SCHEMBL28801712 0.77 BBOX1 (0.35) CA4TSHRCA2
Bromide SCHEMBL27618467 0.77 BBOX1 (0.35) CA4TSHRCA2
SCHEMBL28234151 0.77 BBOX1 (0.35) CA4TSHRCA2

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
US-11465966-B2 Cyclopropanation method OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2022-10-11 US disclosed
US-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 US disclosed
WO-2019035479-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-02-21 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 (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-11465966-B2 Cyclopropanation method ADH1A, ADH1C, ADH5 CA4 311/4885TSHR 3404/4885CA2 672/4885
US-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 CA4 311/4885TSHR 3404/4885CA2 672/4885

“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.