SCHEMBL6606896

SCHEMBL6606896

CNC(=O)c1ccc2c[c]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.57
PLK1 P53350 6/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC2 Q92769 2/20 0.43
HPGDS O60760 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL15711096 0.81 CYP2A6 (0.50) HPGDSMN1; SMN2CYP17A1CYP3A4
SCHEMBL2899731 0.80 PTPN11 (0.53) PLAUHPGDHTTSMN1; SMN2HDAC1
SCHEMBL3483347 0.79 KDM4E (0.50) HPGDTSHR
SCHEMBL8901375 0.78 HDAC6 (0.47) HDAC8HDAC6HDAC2HDAC3HDAC1
SCHEMBL5748794 0.77 LCK (0.56) PLAUTSHRSMN1; SMN2MMP13
SCHEMBL30369626 0.77 PLAU (0.66) PLAUPLK1HDAC8HDAC6HDAC2
SCHEMBL3033752 0.77 HDAC6 (0.73) PLAUPLK1HPGDTSHRHTT
SCHEMBL6640227 0.77 PLAU (0.66) PLAUPLK1HPGDTSHRHTT
SCHEMBL761366 0.77 PLAU (0.66) PLAUPLK1HDAC8HDAC6HDAC2
SCHEMBL3028425 0.75 PLAU (0.74) PLAUPLK1HPGDTSHRHTT

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 6 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 claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
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 576/4885PLK1 4113/4885HPGD 163/4885

“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.