SCHEMBL6000485

SCHEMBL6000485

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN4C(=O)COc5c(C(=O)O)cccc54)n3)cc2)C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.35
S1PR1 P21453 1/20 0.34
PTPN2 P17706 2/20 0.34
PTPRF P10586 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ALOX12 P18054 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6000508 0.85 LMNA (0.36) PTPN1S1PR1PTPN2SLC5A1SLC5A2
SCHEMBL6000509 0.76 S1PR1 (0.46) PTPN1S1PR1PTPN2CTSLCTSB
SCHEMBL6001087 0.75 CHEK1 (0.37) PTPN1S1PR1PTPN2CTSLCTSB
SCHEMBL6000635 0.74 PTPN1 (0.49) PTPN1PTPN2MEN1KMT2A
SCHEMBL4726976 0.74 PTPN1 (0.36) PTPN1S1PR1PTPN2MEN1LMNA
SCHEMBL4726316 0.74 PTPN1 (0.38) PTPN1S1PR1PTPN2MEN1LMNA
SCHEMBL5999041 0.73 S1PR1 (0.37) PTPN1S1PR1PTPN2MEN1KMT2A
SCHEMBL5999037 0.73 S1PR1 (0.37) PTPN1S1PR1PTPN2MEN1KMT2A
SCHEMBL6000020 0.72 PTPN1 (0.48) PTPN1PTPN2MAPT
SCHEMBL6000459 0.72 ROCK2 (0.48) PTPN1PTPN2MEN1MAPTKMT2A

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 PTPN1 2/4885S1PR1 740/4885PTPN2 11/4885

“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.