SCHEMBL6000313

SCHEMBL6000313

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN4Cc5ccccc5C[C@@H]4C(=O)O)n3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
ALOX5 P09917 3/20 0.41
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 2/20 0.38
NAMPT P43490 1/20 0.37
MMP8 P22894 4/20 0.37
MMP3 P08254 2/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
S1PR5 Q9H228 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6000103 1.00 PTPN2 (0.54) PTPN2PTPN1ALOX5ALDH1A1KMT2A
SCHEMBL6000110 1.00 PTPN2 (0.54) PTPN2PTPN1ALOX5ALDH1A1KMT2A
SCHEMBL6000220 1.00 PTPN2 (0.54) PTPN2PTPN1ALOX5ALDH1A1KMT2A
SCHEMBL6000225 1.00 PTPN2 (0.54) PTPN2PTPN1ALOX5ALDH1A1KMT2A
SCHEMBL6000010 0.86 PTPN2 (0.42) PTPN2PTPN1KMT2ANAMPTMMP8
SCHEMBL6001147 0.86 PTPN2 (0.42) PTPN2PTPN1KMT2ANAMPTMMP8
SCHEMBL6000003 0.86 PTPN2 (0.42) PTPN2PTPN1KMT2ANAMPTMMP8
SCHEMBL5999767 0.85 GUCY1B2 (0.41) PTPN2PTPN1
SCHEMBL6000125 0.82 NR4A2 (0.39) PTPN2PTPN1FFAR1MMP8MMP3
SCHEMBL6000132 0.82 NR4A2 (0.39) PTPN2PTPN1FFAR1MMP8MMP3

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 2/4885ALOX5 1693/4885

“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.