SCHEMBL6607430

SCHEMBL6607430

COc1ccc2cc(B(O)OC(C)(C)C(C)(C)O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HPGDS O60760 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
PTGS1 P23219 3/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 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
SCHEMBL366006 0.85 CA1 (0.52) ENPP2CA1CA2
SCHEMBL6840532 0.85 FYN (0.31)
SCHEMBL517925 0.84 CA1 (0.50) CYP1A2CYP2A6CA1CA2KDM4E
SCHEMBL6608274 0.84 AKR1C3 (0.39) CYP1A2CA1KDM4EAKR1C3AKR1C2
SCHEMBL1128777 0.83 ESR1 (0.36) ENPP2CYP1A2CA1CA2HSD17B1
SCHEMBL2300859 0.83 ENPP2 (0.57) ENPP2CA1CA2TSHR
SCHEMBL1129059 0.83 CA1 (0.45) CA1CA2
SCHEMBL6609514 0.79 PTPN11 (0.44) CA1CA2KDM4EHPGDS
SCHEMBL1983047 0.79 ALDH1A1 (0.39) ENPP2CYP1A2CYP2A6CA1CA2
SCHEMBL19451064 0.79 CYP1A2 (0.50) ENPP2CYP1A2CYP2A6CA1CA2

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 ENPP2 895/4885CYP1A2 1151/4885CYP2A6 1458/4885

“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.