SCHEMBL6000801

SCHEMBL6000801

CCCC(CCC)c1ccc(CN(CC)C(=O)c2ccc(-c3csc(CN(CC(=O)O)Cc4ccccc4)n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MMP1 P03956 3/20 0.39
MMP13 P45452 3/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
OPRD1 P41143 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL6000575 0.92 PTPN2 (0.57) PTPN2PTPN1HDAC1HDAC6MMP1
SCHEMBL6000679 0.87 PTPN2 (0.54) PTPN2PTPN1HDAC6MEN1KMT2A
SCHEMBL5999182 0.87 PTPN2 (0.55) PTPN2PTPN1HDAC1HDAC6MMP1
SCHEMBL6000540 0.86 PTPN2 (0.58) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL6001002 0.86 PTPN2 (0.58) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL5999855 0.86 PTPN2 (0.58) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL6000550 0.86 PTPN2 (0.54) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL6001017 0.85 PTPN2 (0.76) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL5999110 0.85 PTPN2 (0.76) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL6000545 0.84 PTPN2 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885HDAC1 319/4885

“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.