SCHEMBL6608001

SCHEMBL6608001

CCN(C(N)=O)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
GLA P06280 2/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MLYCD O95822 3/20 0.34
RORC P51449 1/20 0.34
MAPT P10636 4/20 0.33
HPGD P15428 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
AGTR1 P30556 1/20 0.32
AOC3 Q16853 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7701538 0.90 ALDH1A1 (0.46) ALDH1A1GLATSHRCYP3A4MEN1
Hydrochloric Acid SCHEMBL10801383 0.77 ALDH1A1 (0.48) ALDH1A1GLATSHRCYP3A4MEN1
Water SCHEMBL27864846 0.77 ALDH1A1 (0.68) ALDH1A1GLATSHRCYP3A4MEN1
SCHEMBL7575874 0.77 ALDH1A1 (0.47) ALDH1A1GLATSHRCYP3A4MEN1
SCHEMBL657891 0.77 ALDH1A1 (0.52) ALDH1A1GLATSHRCYP3A4MEN1
SCHEMBL6605814 0.76 TP53 (0.39) ALDH1A1GLATSHRCYP3A4MEN1
SCHEMBL27544700 0.75 ALDH1A1 (0.46) ALDH1A1GLATSHRCYP3A4MEN1
SCHEMBL27508524 0.75 CYP3A4 (0.58) ALDH1A1GLATSHRCYP3A4MAPT
SCHEMBL340272 0.74 ALDH1A1 (0.70) ALDH1A1GLATSHRCYP3A4MEN1
Hydrochloric Acid SCHEMBL28795770 0.74 ALDH1A1 (0.44) ALDH1A1GLATSHRCYP3A4MLYCD

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 ALDH1A1 440/4885GLA 138/4885TSHR 2444/4885

“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.