SCHEMBL6000642

SCHEMBL6000642

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(COc4ccc(C(=O)O)cc4)n3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
RXRA P19793 5/20 0.50
RXRB P28702 5/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 3/20 0.46
POLB P06746 1/20 0.45
PPARD Q03181 4/20 0.44
PPARA Q07869 2/20 0.44
NR4A2 P43354 4/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42

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
SCHEMBL6000946 1.00 PTPN2 (0.61) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL6001047 0.90 PTPN2 (0.57) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL6000513 0.90 PTPN2 (0.57) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL6000518 0.90 PTPN2 (0.56) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL6000216 0.90 PTPN2 (0.55) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL6000688 0.90 PTPN2 (0.55) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL6000919 0.90 PTPN2 (0.57) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL6000758 0.90 PTPN2 (0.57) PTPN2PTPN1RXRARXRBNPC1
SCHEMBL5998556 0.87 PTPN2 (0.58) PTPN2PTPN1ALOX5PPARDPPARA
SCHEMBL6000935 0.87 PTPN1 (0.58) PTPN2PTPN1RXRARXRBNPC1

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 2/4885RXRA 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.