SCHEMBL6001012

SCHEMBL6001012

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)Cc4nc(C(C)(C)C)cs4)c3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.66
PTPN2 P17706 1/20 0.66
MMP13 P45452 13/20 0.40
MMP2 P08253 5/20 0.40
MMP1 P03956 3/20 0.40
MMP9 P14780 3/20 0.40
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
FFAR1 O14842 2/20 0.35
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 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
SCHEMBL6000921 0.90 PTPN2 (0.68) PTPN1PTPN2MMP13MMP2MMP1
SCHEMBL6000707 0.90 PTPN2 (0.81) PTPN1PTPN2MMP13MMP2MMP1
SCHEMBL6000799 0.87 PTPN1 (0.79) PTPN1PTPN2MMP13MMP2MMP1
SCHEMBL6000746 0.85 PTPN1 (0.59) PTPN1PTPN2MMP13MMP2MMP1
SCHEMBL6000864 0.85 PTPN1 (0.60) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL6000597 0.84 PTPN2 (0.59) PTPN1PTPN2MMP13MMP2MMP1
SCHEMBL5999744 0.82 PTPN1 (0.55) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL5999776 0.82 PTPN1 (0.52) PTPN1PTPN2FFAR1
SCHEMBL6000800 0.82 PTPN1 (0.55) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL6000830 0.81 PTPN2 (0.52) PTPN1PTPN2FFAR1

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 11/4885MMP13 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.