SCHEMBL6000735

SCHEMBL6000735

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)S(=O)(=O)Nc4ccccc4C)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
PTPN2 P17706 1/20 0.44
MMP13 P45452 3/20 0.38
MMP9 P14780 2/20 0.38
ADAM17 P78536 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 7/20 0.37
KEAP1 Q14145 2/20 0.37
GYS1 P13807 1/20 0.36
ADAMTS4 O75173 2/20 0.35
NFE2L2 Q16236 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL6000728 0.83 PTPN1 (0.46) PTPN1PTPN2MMP13FFAR1KEAP1
SCHEMBL6000712 0.79 PTPN1 (0.50) PTPN1PTPN2FFAR1
SCHEMBL6000703 0.78 PTPN1 (0.47) PTPN1PTPN2FFAR1PTPN12PTPN22
SCHEMBL6000885 0.77 PTPN1 (0.47) PTPN1PTPN2FFAR1KEAP1NFE2L2
SCHEMBL5999776 0.76 PTPN1 (0.52) PTPN1PTPN2FFAR1ACACB
SCHEMBL6000800 0.76 PTPN1 (0.55) PTPN1PTPN2FFAR1GYS1
SCHEMBL6000193 0.75 PTPN1 (0.52) PTPN1PTPN2MMP13MMP9KMT2A
SCHEMBL6000487 0.74 PTPN1 (0.47) PTPN1PTPN2KMT2AFFAR1GYS1
SCHEMBL5998980 0.74 PTPN1 (0.47) PTPN1PTPN2FFAR1GYS1
SCHEMBL6000943 0.74 PTPN1 (0.49) PTPN1PTPN2FFAR1ADAMTS4

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
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US 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.