SCHEMBL6000602

SCHEMBL6000602

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2csc(CN(CC(=O)O)Cc3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.41
STAT1 P42224 1/20 0.41
STAT5B P51692 1/20 0.41
PTPN2 P17706 2/20 0.40
PTPN1 P18031 2/20 0.40
MMP1 P03956 3/20 0.40
MMP13 P45452 3/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
CPB1 P15086 1/20 0.39
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRE11 P49959 1/20 0.38
TRPA1 O75762 1/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
PTPRS Q13332 1/20 0.37
ROCK2 O75116 1/20 0.36

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 0.93 PTPN2 (0.40) STAT3STAT1STAT5BPTPN2PTPN1
SCHEMBL6000991 0.93 PTPN2 (0.40) STAT3STAT1STAT5BPTPN2PTPN1
SCHEMBL6000788 0.93 MMP13 (0.39) STAT3STAT1STAT5BPTPN2PTPN1
SCHEMBL5999755 0.93 PTPN2 (0.39) STAT3STAT1STAT5BPTPN2PTPN1
SCHEMBL5999147 0.93 GCGR (0.40) STAT3STAT1STAT5BMMP1MMP13
SCHEMBL5999217 0.90 STAT3 (0.39) STAT3STAT1STAT5BPTPN2PTPN1
SCHEMBL5999919 0.88 PTPN2 (0.40) STAT3STAT1STAT5BPTPN2PTPN1
SCHEMBL6000780 0.88 MMP1 (0.49) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL6001059 0.86 RXRA (0.42) STAT3STAT1STAT5BDHODHMEN1
SCHEMBL6000750 0.86 MMP1 (0.44) PTPN2PTPN1MMP1MMP13MMP2

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 STAT3 907/4885STAT1 469/4885STAT5B 303/4885

“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.