SCHEMBL6000589

SCHEMBL6000589

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)S(=O)(=O)c4ccc(Cl)s4)s3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
KEAP1 Q14145 1/20 0.38
GYS1 P13807 1/20 0.38
FFAR1 O14842 3/20 0.36
RORC P51449 5/20 0.35
NR4A2 P43354 1/20 0.35
MAOB P27338 1/20 0.35
MMP2 P08253 3/20 0.34
MMP3 P08254 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34
MMP14 P50281 2/20 0.34
DAGLA Q9Y4D2 2/20 0.34
RORA P35398 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RORB Q92753 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL6000204 0.87 PTPN1 (0.49) PTPN1PTPN2KEAP1GYS1FFAR1
SCHEMBL5998999 0.79 PTPN1 (0.49) PTPN1PTPN2FFAR1NR4A2MAOB
SCHEMBL6000625 0.78 PTPN2 (0.54) PTPN1PTPN2GYS1FFAR1NR4A2
SCHEMBL6000228 0.77 PTPN1 (0.49) PTPN1PTPN2FFAR1NR4A2MAOB
SCHEMBL6000855 0.76 PTPN1 (0.52) PTPN1PTPN2GYS1FFAR1NR4A2
SCHEMBL5999197 0.76 PTPN2 (0.51) PTPN1PTPN2FFAR1NR4A2
SCHEMBL5999189 0.76 PTPN2 (0.47) PTPN1PTPN2FFAR1RORCNR4A2
SCHEMBL6000708 0.75 PTPN2 (0.51) PTPN1PTPN2GYS1NR4A2MMP13
SCHEMBL6000800 0.75 PTPN1 (0.55) PTPN1PTPN2GYS1FFAR1NR4A2
SCHEMBL6000069 0.75 PTPN2 (0.49) PTPN1PTPN2FFAR1MMP13NR1H2

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 2/4885PTPN2 11/4885KEAP1 2933/4885

“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.