SCHEMBL6000318

SCHEMBL6000318

CCCC(CCC)c1ccc(COc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4ccc(C(C)C)cc4)n3)c(C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MMP13 P45452 5/20 0.36
PPARD Q03181 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 4/20 0.35
THRB P10828 1/20 0.35
PPARA Q07869 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6000495 0.94 PTPN2 (0.56) PTPN2PTPN1FNTAFNTBMMP13
Hydrochloric Acid SCHEMBL5999335 0.86 PTPN2 (0.54) PTPN2PTPN1MMP13PPARDMMP1
SCHEMBL6000136 0.84 PTPN2 (0.58) PTPN2PTPN1MAOBMMP13PPARD
Hydrochloric Acid SCHEMBL5999876 0.84 PTPN2 (0.58) PTPN2PTPN1MMP13PPARDMMP1
SCHEMBL6000992 0.83 PTPN2 (0.68) PTPN2PTPN1FNTAFNTBMMP13
SCHEMBL6000985 0.83 PTPN2 (0.69) PTPN2PTPN1FNTAFNTBMMP13
SCHEMBL6000850 0.83 PTPN2 (0.54) PTPN2PTPN1SMN1; SMN2TDP1LMNA
SCHEMBL6000764 0.82 PTPN2 (0.66) PTPN2PTPN1FNTAFNTBMMP13
SCHEMBL5999192 0.80 PTPN1 (0.54) PTPN2PTPN1MMP13PPARDMMP1
SCHEMBL6000943 0.80 PTPN1 (0.49) PTPN2PTPN1FNTAFNTBMAOA

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 2/4885FNTA 3112/4885

“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.