SCHEMBL6000991

SCHEMBL6000991

CN(Cc1ccc([C@H]2CC[C@H](C)CC2)cc1)c1ccc(-c2csc(CN(CC(=O)O)Cc3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
MMP13 P45452 4/20 0.39
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 2/20 0.39
CPB1 P15086 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GCGR P47871 2/20 0.36
GIPR P48546 2/20 0.36
STAT3 P40763 2/20 0.36
STAT1 P42224 1/20 0.36
STAT5B P51692 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
NAMPT P43490 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 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
SCHEMBL6000999 1.00 PTPN2 (0.40) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL6000602 0.93 STAT3 (0.41) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL6000788 0.93 MMP13 (0.39) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL5999136 0.92 PPARG (0.38) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL5999131 0.92 PPARG (0.38) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL5999755 0.91 PTPN2 (0.39) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL5999939 0.89 PTPN2 (0.39) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL5999933 0.89 PTPN2 (0.39) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL6000780 0.87 MMP1 (0.49) PTPN2PTPN1MMP13MMP1MMP2
SCHEMBL5999147 0.86 GCGR (0.40) MMP13MMP1MMP2MMP9CPB1

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 PTPN2 11/4885PTPN1 2/4885MMP13 2340/4885

“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.