SCHEMBL6000487

SCHEMBL6000487

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)C(=O)c4ccc(C(C)C)cc4)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
PTPN2 P17706 1/20 0.47
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL5998980 0.90 PTPN1 (0.47) PTPN1PTPN2RXRARXRBMAPT
SCHEMBL6000943 0.83 PTPN1 (0.49) PTPN1PTPN2RXRARXRBMAPT
SCHEMBL6000885 0.83 PTPN1 (0.47) PTPN1PTPN2NPC1RAB9AFFAR1
SCHEMBL5999776 0.82 PTPN1 (0.52) PTPN1PTPN2RXRARXRBFFAR1
SCHEMBL6000024 0.81 RXRA (0.52) PTPN1PTPN2RXRARXRBNPC1
SCHEMBL6000493 0.80 PTPN2 (0.47) PTPN1PTPN2RXRARXRBMAPT
SCHEMBL6383633 0.80 TRPM8 (0.46) PTPN1PTPN2RXRARXRBMAPT
SCHEMBL6000703 0.79 PTPN1 (0.47) PTPN1PTPN2FFAR1ALOX5MAOB
SCHEMBL6000670 0.78 PTPN2 (0.64) PTPN1PTPN2MAPTNPC1RAB9A
SCHEMBL6000712 0.78 PTPN1 (0.50) PTPN1PTPN2MAPTNPC1RAB9A

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 2/4885PTPN2 11/4885RXRA 867/4885

“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.