SCHEMBL5999767

SCHEMBL5999767

CCCC(CCC)c1ccc(COc2ccc(C)cc2-c2csc(CN3Cc4ccccc4CC3C(=O)O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 19/20 0.41
GUCY1A2 P33402 19/20 0.41
GUCY1A1 Q02108 19/20 0.41
GUCY1B1 Q02153 19/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6000103 0.85 PTPN2 (0.54) PTPN2PTPN1
SCHEMBL6000313 0.85 PTPN2 (0.54) PTPN2PTPN1
SCHEMBL6000110 0.85 PTPN2 (0.54) PTPN2PTPN1
SCHEMBL6000225 0.85 PTPN2 (0.54) PTPN2PTPN1
SCHEMBL6000220 0.85 PTPN2 (0.54) PTPN2PTPN1
SCHEMBL5999021 0.78 PTPN2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTPN2
SCHEMBL6000010 0.77 PTPN2 (0.42) PTPN2PTPN1
SCHEMBL6000003 0.77 PTPN2 (0.42) PTPN2PTPN1
SCHEMBL6001147 0.77 PTPN2 (0.42) PTPN2PTPN1
SCHEMBL6000515 0.75 PTPN2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTPN2

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 GUCY1B2 527/4885GUCY1A2 715/4885GUCY1A1 780/4885

“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.