SCHEMBL6000554

SCHEMBL6000554

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(C(=O)N(C)CC(=O)O)c4ccccc4)c3)cc2)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
S1PR1 P21453 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
LTB4R2 Q9NPC1 9/20 0.32
PTPN22 Q9Y2R2 2/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL6000666 0.85 PTPN1 (0.40) PTPN1S1PR1LTB4R2
SCHEMBL6000573 0.81 PTPN1 (0.43) PTPN1S1PR1
SCHEMBL6000877 0.77 LMNA (0.41) PTPN1S1PR1CNR1CNR2
SCHEMBL6000945 0.77 TDP1 (0.41) PTPN1
SCHEMBL6000099 0.77 PTPN1 (0.38) PTPN1S1PR1
SCHEMBL6000095 0.76 PTPN1 (0.38) PTPN1S1PR1
SCHEMBL6000551 0.75 PTPN1 (0.41) PTPN1S1PR1PTPN22
SCHEMBL5999198 0.75 PTPN1 (0.42) PTPN1S1PR1PTPN22
SCHEMBL6000562 0.75 PTPN1 (0.41) PTPN1S1PR1PTGES
SCHEMBL5999157 0.74 PTPN1 (0.52) PTPN1S1PR1

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 740/4885CNR1 239/4885

“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.