SCHEMBL6000467

SCHEMBL6000467

CCC(CC)N(Cc1ccc(-c2csc(COc3cncc(C(=O)O)c3)n2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PPARD Q03181 4/20 0.39
PPARA Q07869 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 3/20 0.34
MRE11 P49959 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6001024 0.94 PTPN2 (0.44) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL5999251 0.89 PTPN1 (0.44) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL5999150 0.88 ALOX5 (0.41) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL6000876 0.87 ALOX5 (0.42) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL5999470 0.86 PTPN1 (0.49) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL5999865 0.86 ALOX5 (0.40) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL6001056 0.84 PTPN2 (0.43) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL6000506 0.83 PTPN2 (0.48) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL4728519 0.83 PTPN1 (0.47) ALOX5PTPN1PTPN2PPARDPPARA
SCHEMBL6000654 0.82 PTPN1 (0.42) ALOX5PTPN1PTPN2PPARDPPARA

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 ALOX5 1693/4885PTPN1 2/4885PTPN2 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.