SCHEMBL6000772

SCHEMBL6000772

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(COc4cccc(C(=O)O)n4)c3)cc2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
MMP13 P45452 9/20 0.35
MMP1 P03956 5/20 0.35
MMP2 P08253 5/20 0.35
MMP9 P14780 4/20 0.35
PTPN22 Q9Y2R2 7/20 0.34
PTPN12 Q05209 2/20 0.34
S1PR1 P21453 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTPN2 P17706 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
SCHEMBL27650919 0.83 PTPN1 (0.36) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL6001039 0.81 PTPN1 (0.47) PTPN1PTPN22PTPN12S1PR1PTPN2
SCHEMBL5999169 0.80 PTPN1 (0.47) PTPN1MMP13MMP1MMP2MMP9
SCHEMBL6000164 0.79 PTPN2 (0.47) PTPN1MMP13MMP1MMP2MMP9
SCHEMBL5999198 0.75 PTPN1 (0.42) PTPN1MMP13MMP1MMP2MMP9
SCHEMBL6000881 0.75 PTPN1 (0.41) PTPN1PTPN22PTPN12S1PR1PTPN2
SCHEMBL4781021 0.75 PTPN1 (0.65) PTPN1MMP13
SCHEMBL6000573 0.74 PTPN1 (0.43) PTPN1S1PR1
SCHEMBL6000020 0.74 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL6000945 0.73 TDP1 (0.41) PTPN1

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 PTPN1 2/4885MMP13 2340/4885MMP1 3740/4885

“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.