SCHEMBL6607443

SCHEMBL6607443

CNC(=O)c1ccc2cc(B(O)OC(C)(C)C(C)(C)O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.49
CYP17A1 P05093 4/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGDS O60760 2/20 0.38
PLK1 P53350 3/20 0.38
NCEH1 Q6PIU2 1/20 0.37
F10 P00742 1/20 0.35
MMP13 P45452 1/20 0.35
PTPN11 Q06124 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34

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
SCHEMBL6609514 0.86 PTPN11 (0.44) PLAUCYP17A1CYP3A4HPGDHTT
SCHEMBL12475742 0.84 HDAC8 (0.45) PLAUHPGDTSHRHTTSMN1; SMN2
SCHEMBL6610483 0.83 HPGD (0.41) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL12476441 0.81 HDAC8 (0.36) PLAUHPGDTSHRHTTSMN1; SMN2
SCHEMBL18706396 0.81 NR1H4 (0.32) CYP17A1CYP3A4HPGDTSHRHTT
SCHEMBL517925 0.78 CA1 (0.50) PLAU
SCHEMBL1128777 0.76 ESR1 (0.36) CYP3A4TSHRHTTHSD17B1HSD17B2
SCHEMBL6607430 0.75 ENPP2 (0.41) TSHRHPGDSHSD17B1HSD17B2
SCHEMBL6611021 0.75 KDM4E (0.38) HPGDTSHR
SCHEMBL473743 0.74 CA1 (0.44) HPGDTSHR

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 PLAU 576/4885CYP17A1 1097/4885CYP3A4 1806/4885

“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.