SCHEMBL6606099

SCHEMBL6606099

CSc1ccc(-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.54
CA1 P00915 3/20 0.54
MGLL Q99685 1/20 0.54
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
ENPP2 Q13822 5/20 0.42
TSHR P16473 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
PTGS2 P35354 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL184212 0.93 CA2 (0.52) CA2CA1MGLLLPLLIPG
SCHEMBL5520697 0.91 CA2 (0.50) CA2CA1MGLLLPLLIPG
SCHEMBL31416514 0.81 MGLL (0.63) CA2CA1MGLLLPLLIPG
SCHEMBL806835 0.80 CA2 (0.78) CA2CA1MGLLLPLLIPG
SCHEMBL13667445 0.80 CA2 (0.78) CA2CA1MGLLLPLLIPG
SCHEMBL10528160 0.80 ALDH1A1 (0.50) HAO1PTGS2NOS3NOS1
SCHEMBL18394607 0.80 CA2 (0.78) CA2CA1MGLLLPLLIPG
SCHEMBL10300271 0.80 ALDH1A1 (0.50) HAO1PTGS2NOS3NOS1
SCHEMBL29958022 0.77 CA2 (0.46) CA2CA1MGLLLPLLIPG
SCHEMBL29262949 0.77 CA2 (0.74) CA2CA1MGLLLPLLIPG

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-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 CA2 561/4885CA1 612/4885MGLL 2688/4885

“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.