SCHEMBL6000546

SCHEMBL6000546

CCCC(CCC)c1ccc(COc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4ccccc4)n3)cc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
TDP1 Q9NUW8 1/20 0.41
DHODH Q02127 5/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
POLB P06746 1/20 0.37
KDR P35968 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PAX8 Q06710 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6000850 0.94 PTPN2 (0.54) PTPN2PTPN1MEN1KMT2ATDP1
SCHEMBL6000985 0.88 PTPN2 (0.69) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6000992 0.85 PTPN2 (0.68) PTPN2PTPN1MEN1KMT2AHDAC1
SCHEMBL6000524 0.83 PTPN2 (0.50) PTPN2PTPN1MEN1KMT2ATDP1
SCHEMBL6000495 0.82 PTPN2 (0.56) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6000494 0.82 PTPN2 (0.66) PTPN2PTPN1MEN1KMT2ANPC1
SCHEMBL6000764 0.81 PTPN2 (0.66) PTPN2PTPN1TDP1NPC1RAB9A
SCHEMBL6000533 0.81 PTPN2 (0.46) PTPN2PTPN1MEN1KMT2ATDP1
SCHEMBL6000626 0.80 PTPN2 (0.66) PTPN2PTPN1
SCHEMBL6001139 0.80 PTPN2 (0.51) PTPN2PTPN1MEN1KMT2AHDAC1

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.