SCHEMBL6000850

SCHEMBL6000850

CCCC(CCC)c1ccc(COc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4ccc(C(C)C)cc4)n3)cc2OC)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 7/20 0.39
KMT2A Q03164 7/20 0.39
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 2/20 0.36
EPHA2 P29317 2/20 0.36
KDR P35968 2/20 0.36
EPHB4 P54760 2/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL6000546 0.94 PTPN2 (0.55) PTPN2PTPN1MEN1KMT2ATDP1
SCHEMBL6000992 0.86 PTPN2 (0.68) PTPN2PTPN1MEN1KMT2AHDAC1
SCHEMBL6000318 0.83 PTPN2 (0.54) PTPN2PTPN1TDP1LMNAMAPT
SCHEMBL6000985 0.83 PTPN2 (0.69) PTPN2PTPN1MEN1KMT2ARAB9A
SCHEMBL6000764 0.82 PTPN2 (0.66) PTPN2PTPN1TDP1RAB9AMAPT
SCHEMBL5999977 0.81 PTPN2 (0.51) PTPN2PTPN1MEN1KMT2ATDP1
SCHEMBL6000050 0.81 PTPN2 (0.50) PTPN2PTPN1MEN1KMT2ATDP1
SCHEMBL6000524 0.79 PTPN2 (0.50) PTPN2PTPN1MEN1KMT2ATDP1
SCHEMBL6000494 0.78 PTPN2 (0.66) PTPN2PTPN1MEN1KMT2ARAB9A
SCHEMBL6001057 0.78 PTPN2 (0.64) PTPN2PTPN1MEN1KMT2APPARG

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.