SCHEMBL6000723

SCHEMBL6000723

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(COc4cccc(C(=O)O)n4)s3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
NR4A2 P43354 1/20 0.44
MCL1 Q07820 4/20 0.39
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
FFAR1 O14842 3/20 0.38
BCL2 P10415 1/20 0.38
MDM2 Q00987 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
CES1 P23141 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL6000164 0.86 PTPN2 (0.47) PTPN2PTPN1MCL1MMP2MMP13
SCHEMBL5998556 0.83 PTPN2 (0.58) PTPN2PTPN1MCL1MMP2MMP13
SCHEMBL6000615 0.81 PTPN2 (0.44) PTPN2PTPN1NR4A2FFAR1RXRA
SCHEMBL6000154 0.79 PTPN2 (0.43) PTPN2PTPN1NR4A2FFAR1RXRA
SCHEMBL5998999 0.77 PTPN1 (0.49) PTPN2PTPN1NR4A2FFAR1
SCHEMBL6000135 0.77 PTPN2 (0.41) PTPN2PTPN1NR4A2FFAR1RXRA
SCHEMBL6000708 0.75 PTPN2 (0.51) PTPN2PTPN1NR4A2MMP13PPARG
SCHEMBL6000625 0.75 PTPN2 (0.54) PTPN2PTPN1NR4A2FFAR1PPARG
SCHEMBL5999189 0.75 PTPN2 (0.47) PTPN2PTPN1NR4A2FFAR1
SCHEMBL5999197 0.75 PTPN2 (0.51) PTPN2PTPN1NR4A2FFAR1

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 2/4885NR4A2 504/4885

“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.