SCHEMBL6609313

SCHEMBL6609313

COC(=O)Nc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
TP53 P04637 1/20 0.42
KIF11 P52732 1/20 0.42
PTPN1 P18031 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1196294 0.88 SMN1; SMN2 (0.61) SMN1; SMN2HPGDMAPTHTTRAB9A
SCHEMBL7251623 0.88 SMN1; SMN2 (0.72) SMN1; SMN2HPGDMAPTHTTL3MBTL1
SCHEMBL6607121 0.83 CYP17A1 (0.58) SMN1; SMN2HTTL3MBTL1KIF11PTPN1
SCHEMBL23360763 0.82 MGLL (0.51) POLBALDH1A1KMT2A
SCHEMBL9609808 0.82 SMN1; SMN2 (0.82) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL2092941 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HPGDMAPTHTTL3MBTL1
SCHEMBL9125125 0.81 SMN1; SMN2 (0.63) SMN1; SMN2HPGDMAPTHTTL3MBTL1
SCHEMBL3140177 0.81 SMN1; SMN2 (0.76) SMN1; SMN2HPGDMAPTHTTL3MBTL1
SCHEMBL6804325 0.78 ALDH1A1 (0.62) SMN1; SMN2HPGDMAPTHTTRAB9A
SCHEMBL22579207 0.77 PTPN1 (0.73) SMN1; SMN2HPGDMAPTL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
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
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN 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 SMN1; SMN2 1918/4885HPGD 163/4885MAPT 2566/4885

“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.