SCHEMBL6605832

SCHEMBL6605832

COC(=O)c1ccc(-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
CA7 P43166 1/20 0.53
ERN1 O75460 3/20 0.53
TSHR P16473 1/20 0.50
PTPN1 P18031 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
EGFR P00533 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SETD7 Q8WTS6 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47

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
SCHEMBL140644 0.94 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL2040977 0.92 CA1 (0.57) CA1CA2CA12CA9CA14
Phenylboronic Acid SCHEMBL29109684 0.90 EGFR (0.59) CA1CA2CA12CA9CA14
SCHEMBL29549301 0.87 MLYCD (0.45) CA1CA2CA12CA9CA14
SCHEMBL28853439 0.87 ERN1 (0.45) CA1CA2CA12CA9CA14
SCHEMBL19387238 0.85 CA1 (0.70) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.85 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL257872 0.85 CA1 (0.58) CA1CA2CA12CA9CA14
SCHEMBL23493572 0.84 RAB9A (0.67) CA1CA2CA12CA9CA14
SCHEMBL23493574 0.84 RAB9A (0.67) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580198-A Dicarboxylic acid ligand containing benzothiadiazole functional group for preparing metal organic framework and preparation method thereof 江西理工大学 2024-09-03 CN disclosed
EP-4172162-A1 AMPK ACTIVATORS Kallyope, Inc. (US) 2023-05-03 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2021263039-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2021-12-30 WO disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CA1 612/4885CA2 561/4885CA12 1276/4885

“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.