SCHEMBL6000901

SCHEMBL6000901

CC(C)c1ccc(CN(c2ccc(-c3csc(CN(CC(=O)O)Cc4ccc(C(C)(C)C)cc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
GCGR P47871 10/20 0.46
GIPR P48546 10/20 0.46
ADRB3 P13945 1/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MRE11 P49959 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
SCHEMBL6000613 0.94 PTPN2 (0.47) PTPN2PTPN1GCGRGIPRADRB3
SCHEMBL6000861 0.84 PTPN1 (0.52) PTPN2PTPN1GCGRGIPRADRB3
SCHEMBL6000635 0.84 PTPN1 (0.49) PTPN2PTPN1GCGRGIPRL3MBTL1
SCHEMBL6001156 0.82 PTPN2 (0.48) PTPN2PTPN1GCGRGIPRALOX5
SCHEMBL6000036 0.81 GCGR (0.46) PTPN2PTPN1GCGRGIPRADRB3
SCHEMBL6000145 0.81 PTPN1 (0.43) PTPN2PTPN1ADRB3ALDH1A1NPC1
SCHEMBL5999977 0.80 PTPN2 (0.51) PTPN2PTPN1ADRB3ALDH1A1NPC1
SCHEMBL6001050 0.78 PTPN1 (0.55) PTPN2PTPN1GCGRGIPRALOX5
SCHEMBL6000478 0.77 PTPN1 (0.39) PTPN2PTPN1GCGRADRB3ALDH1A1
SCHEMBL6000680 0.77 PTPN1 (0.44) PTPN2PTPN1ADRB3ALDH1A1L3MBTL1

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 2/4885GCGR 194/4885

“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.