SCHEMBL6000708

SCHEMBL6000708

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)Cc4cccc(C(=O)O)c4)s3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
MRGPRX4 Q96LA9 8/20 0.46
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NR4A2 P43354 1/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
MEP1B Q16820 3/20 0.42
GYS1 P13807 1/20 0.41
MEP1A Q16819 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL6000625 0.88 PTPN2 (0.54) PTPN2PTPN1NR4A2PPARAPPARG
SCHEMBL6000800 0.86 PTPN1 (0.55) PTPN2PTPN1NR4A2PPARAPPARG
SCHEMBL6000855 0.85 PTPN1 (0.52) PTPN2PTPN1NR4A2PPARAPPARG
SCHEMBL6000866 0.85 PTPN1 (0.52) PTPN2PTPN1NR4A2PPARAPPARG
SCHEMBL5999197 0.84 PTPN2 (0.51) PTPN2PTPN1SMN1; SMN2NR4A2RAB9A
SCHEMBL5999744 0.83 PTPN1 (0.55) PTPN2PTPN1PPARAPPARGGYS1
SCHEMBL5998999 0.82 PTPN1 (0.49) PTPN2PTPN1NR4A2
SCHEMBL5999082 0.82 PTPN2 (0.54) PTPN2PTPN1NR4A2PPARAPPARG
SCHEMBL6000222 0.81 PTPN1 (0.76) PTPN2PTPN1NR4A2PPARAPPARG
SCHEMBL5999081 0.81 PTPN1 (0.52) PTPN2PTPN1NR4A2PPARAPPARG

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 2/4885MRGPRX4 1577/4885

“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.