SCHEMBL6000550

SCHEMBL6000550

CCCC(CCC)c1ccc(NC(=O)c2ccc(-c3csc(CN(CC(=O)O)Cc4ccccc4)n3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
MEN1 O00255 10/20 0.46
KMT2A Q03164 10/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAMPT P43490 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
BLM P54132 1/20 0.39
LMNA P02545 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
SCHEMBL5999182 0.89 PTPN2 (0.55) PTPN2PTPN1RAB9ANPC1MAPT
SCHEMBL6000679 0.88 PTPN2 (0.54) PTPN2PTPN1MEN1KMT2ANFKB1
SCHEMBL6000545 0.86 PTPN2 (0.55) PTPN2PTPN1MEN1KMT2ARAB9A
SCHEMBL6000801 0.86 PTPN2 (0.57) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL6000575 0.86 PTPN2 (0.57) PTPN2PTPN1MEN1KMT2AL3MBTL1
SCHEMBL6000540 0.84 PTPN2 (0.58) PTPN2PTPN1MEN1KMT2ARAB9A
SCHEMBL5999855 0.84 PTPN2 (0.58) PTPN2PTPN1MEN1KMT2ARAB9A
SCHEMBL6001002 0.84 PTPN2 (0.58) PTPN2PTPN1MEN1KMT2ARAB9A
SCHEMBL5999110 0.83 PTPN2 (0.76) PTPN2PTPN1L3MBTL1MMP1MMP2
SCHEMBL6001017 0.83 PTPN2 (0.76) PTPN2PTPN1L3MBTL1MMP1MMP2

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 2/4885MEN1 4550/4885

“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.