SCHEMBL6000688

SCHEMBL6000688

CCCC(CCC)c1ccc(N(C)Cc2ccc(-c3csc(COc4ccc(C(=O)O)cc4)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
ALOX5 P09917 4/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARD Q03181 4/20 0.40
PPARA Q07869 3/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
PTGES O14684 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 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
SCHEMBL6000216 1.00 PTPN2 (0.55) PTPN2PTPN1ALOX5RAB9AKDM4E
SCHEMBL6000895 0.90 PTPN2 (0.50) PTPN2PTPN1ALOX5RAB9AKDM4E
SCHEMBL6001098 0.90 PTPN2 (0.50) PTPN2PTPN1ALOX5RAB9AKDM4E
SCHEMBL6000946 0.90 PTPN2 (0.61) PTPN2PTPN1ALOX5RAB9AKDM4E
SCHEMBL6000642 0.90 PTPN2 (0.61) PTPN2PTPN1ALOX5RAB9AKDM4E
SCHEMBL6000139 0.86 PTPN2 (0.54) PTPN2PTPN1ALOX5RAB9AKDM4E
SCHEMBL6001000 0.86 PTPN2 (0.54) PTPN2PTPN1ALOX5RAB9AKDM4E
SCHEMBL6001016 0.85 GCGR (0.42) PTPN2PTPN1RAB9AKDM4ENPC1
SCHEMBL5585499 0.85 GCGR (0.42) PTPN2PTPN1RAB9AKDM4ENPC1
SCHEMBL5999781 0.85 PTPN2 (0.43) PTPN2PTPN1RAB9AKDM4ENPC1

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.