SCHEMBL6000933

SCHEMBL6000933

CCCC(CCC)N(Cc1ccc(-c2csc(COc3ccc(C(=O)O)cn3)n2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.35
RXRA P19793 4/20 0.35
RXRB P28702 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
PPARD Q03181 3/20 0.34
GABRA5 P31644 1/20 0.34
OXTR P30559 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARA Q07869 2/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL5999865 0.94 ALOX5 (0.40) PTPN2PTPN1ALOX5MAPTRXRA
SCHEMBL6000506 0.90 PTPN2 (0.48) PTPN2PTPN1ALOX5RXRARXRB
SCHEMBL6001024 0.86 PTPN2 (0.44) PTPN2PTPN1ALOX5MAPTRXRA
SCHEMBL6000965 0.86 PTPN1 (0.40) PTPN2PTPN1ALOX5MAPTPPARD
SCHEMBL6001056 0.85 PTPN2 (0.43) PTPN2PTPN1ALOX5MAPTRXRA
SCHEMBL6000467 0.80 ALOX5 (0.42) PTPN2PTPN1ALOX5MAPTRXRA
SCHEMBL5999169 0.76 PTPN1 (0.47) PTPN2PTPN1ALOX5MAPTPPARD
SCHEMBL5999470 0.76 PTPN1 (0.49) PTPN2PTPN1ALOX5MAPTPPARD
SCHEMBL6000167 0.75 PTPN1 (0.49) PTPN2PTPN1ALOX5MAPTRXRA
SCHEMBL5999963 0.75 PTPN1 (0.45) PTPN2PTPN1ALOX5MAPTPPARD

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 2/4885ALOX5 1693/4885

“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.