SCHEMBL6000807

SCHEMBL6000807

CN(Cc1ccc(C2CCC(C)(C)CC2)cc1)c1ccc(-c2csc(CN(C)S(=O)(=O)CCCC(=O)O)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.33
GIPR P48546 6/20 0.33
STAT3 P40763 7/20 0.32
STAT1 P42224 1/20 0.32
STAT5B P51692 1/20 0.32
CPB1 P15086 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAMPT P43490 1/20 0.30
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL6000030 0.91 STAT3 (0.34) GCGRGIPRSTAT3STAT1STAT5B
SCHEMBL6000811 0.87 MEN1 (0.36) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL6000621 0.84 TRPM8 (0.43) STAT3STAT1STAT5B
SCHEMBL6000047 0.82 STAT3 (0.41) STAT3STAT1STAT5B
SCHEMBL5999755 0.81 PTPN2 (0.39) GCGRGIPRSTAT3STAT1STAT5B
SCHEMBL5585532 0.77 GCGR (0.40) GCGRGIPRCPB1ALDH1A1RAB9A
SCHEMBL6000143 0.77 MRE11 (0.40) GCGRGIPRSTAT3STAT1STAT5B
SCHEMBL6000034 0.77 MEN1 (0.38) ALDH1A1RAB9ANAMPTAPPCYP3A4
SCHEMBL5585828 0.77 GCGR (0.40) GCGRGIPRCPB1ALDH1A1RAB9A
SCHEMBL5999072 0.76 STAT3 (0.48) STAT3STAT1STAT5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 GCGR 194/4885GIPR 138/4885STAT3 907/4885

“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.