SCHEMBL5998570

SCHEMBL5998570

CCCC(CCC)c1ccc(COc2ccc(C)cc2-c2csc(CN(C)S(=O)(=O)c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.37
TAS2R14 Q9NYV8 7/20 0.36
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 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
SCHEMBL5999121 0.89 PTPN2 (0.43) PTPN2PTPN1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6000935 0.84 PTPN1 (0.58) PTPN2PTPN1KMT2ANPC1ALDH1A1
SCHEMBL5999021 0.80 PTPN2 (0.55) PTPN2PTPN1KEAP1NFE2L2GUCY1B2
SCHEMBL6000019 0.78 PTPN2 (0.44) PTPN2PTPN1KMT2ANPC1ALDH1A1
SCHEMBL6000515 0.77 PTPN2 (0.52) PTPN2PTPN1KMT2AGUCY1B2GUCY1A2
SCHEMBL5999767 0.73 GUCY1B2 (0.41) PTPN2PTPN1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6000706 0.72 PTPN2 (0.55) PTPN2PTPN1
SCHEMBL6000946 0.71 PTPN2 (0.61) PTPN2PTPN1NPC1ALDH1A1RAB9A
SCHEMBL6000642 0.71 PTPN2 (0.61) PTPN2PTPN1NPC1ALDH1A1RAB9A
SCHEMBL12876800 0.70 ECE1 (0.53) KMT2ANPC1ALDH1A1MAPTRAB9A

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 PTPN2 11/4885PTPN1 2/4885KMT2A 3203/4885

“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.