SCHEMBL6000539

SCHEMBL6000539

CCCC(CCC)c1ccc(COc2ccc(-c3csc(Cc4ccccc4NC(=O)CNCC(=O)O)n3)cc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
DHODH Q02127 4/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6000491 0.83 PTPN2 (0.43) PTPN2PTPN1MAPTPPARDPPARA
SCHEMBL6000533 0.83 PTPN2 (0.46) PTPN2PTPN1KMT2AMEN1TDP1
SCHEMBL6000522 0.80 PTPN2 (0.44) PTPN2PTPN1KMT2AMEN1TDP1
SCHEMBL6000546 0.79 PTPN2 (0.55) PTPN2PTPN1KMT2AMEN1TDP1
SCHEMBL6001133 0.79 PTPN2 (0.40) PTPN2PTPN1KMT2AMEN1MAPT
SCHEMBL6000850 0.75 PTPN2 (0.54) PTPN2PTPN1KMT2AMEN1TDP1
SCHEMBL6000524 0.75 PTPN2 (0.50) PTPN2PTPN1KMT2AMEN1TDP1
SCHEMBL6000675 0.74 PTPN1 (0.37) PTPN2PTPN1KMT2AMEN1MAPT
SCHEMBL6000860 0.73 PTPN2 (0.48) PTPN2PTPN1KMT2AMEN1POLB
SCHEMBL6001057 0.68 PTPN2 (0.64) PTPN2PTPN1KMT2AMEN1MAPT

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.