SCHEMBL6000679

SCHEMBL6000679

CCCC(CCC)c1ccc(CCNC(=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
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
GCGR P47871 7/20 0.43
GIPR P48546 7/20 0.43
EIF4E P06730 1/20 0.42
ESRRG P62508 1/20 0.41
MCHR1 Q99705 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADRB3 P13945 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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 0.92 PTPN2 (0.55) PTPN2PTPN1MAPTLMNAMAPK1
SCHEMBL6000545 0.89 PTPN2 (0.55) PTPN2PTPN1MAPTLMNAADRB3
SCHEMBL6000550 0.88 PTPN2 (0.54) PTPN2PTPN1MAPTLMNAMAPK1
SCHEMBL6000801 0.87 PTPN2 (0.57) PTPN2PTPN1MAPTHDAC6MEN1
SCHEMBL6000575 0.85 PTPN2 (0.57) PTPN2PTPN1GCGRGIPRHDAC2
SCHEMBL6001002 0.84 PTPN2 (0.58) PTPN2PTPN1MAPTGCGRGIPR
SCHEMBL5999855 0.84 PTPN2 (0.58) PTPN2PTPN1MAPTGCGRGIPR
SCHEMBL6000540 0.84 PTPN2 (0.58) PTPN2PTPN1MAPTGCGRGIPR
SCHEMBL6001017 0.82 PTPN2 (0.76) PTPN2PTPN1
SCHEMBL5999110 0.82 PTPN2 (0.76) PTPN2PTPN1

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 2/4885MAPT 4785/4885

“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.