SCHEMBL6000427

SCHEMBL6000427

CCC(CC)CN(Cc1ccc(-c2csc(CN(CC(=O)O)CC(=O)Nc3ccc(C(=O)O)cc3)n2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
POLB P06746 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
AKT1 P31749 3/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.35
GCGR P47871 3/20 0.35
GIPR P48546 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ACHE P22303 1/20 0.35
ATM Q13315 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
SCHEMBL5999015 0.96 PTPN2 (0.41) PTPN2PTPN1MAPTLMNAKMT2A
SCHEMBL6000379 0.93 PTPN2 (0.40) PTPN2PTPN1MAPTLMNAKMT2A
SCHEMBL6000050 0.85 PTPN2 (0.50) PTPN2PTPN1MAPTLMNAKMT2A
SCHEMBL6000145 0.83 PTPN1 (0.43) PTPN2PTPN1MAPTLMNAKMT2A
SCHEMBL6001156 0.82 PTPN2 (0.48) PTPN2PTPN1MAPTKMT2AMEN1
SCHEMBL6001139 0.80 PTPN2 (0.51) PTPN2PTPN1MAPTLMNAKMT2A
SCHEMBL5999977 0.80 PTPN2 (0.51) PTPN2PTPN1MAPTLMNAKMT2A
SCHEMBL6000357 0.78 PTPN2 (0.36) PTPN2PTPN1KMT2AMEN1POLB
SCHEMBL5999379 0.78 PTPN1 (0.43) PTPN2PTPN1MAPTLMNAKMT2A
SCHEMBL6000680 0.77 PTPN1 (0.44) PTPN2PTPN1MAPTLMNAKMT2A

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.