SCHEMBL16075089

SCHEMBL16075089

Cc1ccc2c(c1)C(C)(C)C(/C=C/C1=C(Oc3ccc(S(=O)(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)CCC1)=[N+]2CCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.54
FOLR1 P15328 6/20 0.49
PTPN1 P18031 1/20 0.46
HTR1A P08908 1/20 0.43
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
HRH2 P25021 4/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL13173078 0.97 FOLH1 (0.56) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL13883450 0.97 FOLH1 (0.56) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL29354043 0.97 FOLH1 (0.57) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL17546355 0.96 FOLR1 (0.52) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL14703624 0.95 FOLH1 (0.52) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL12580185 0.95 FOLR1 (0.53) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL13380231 0.95 FOLH1 (0.53) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL16075076 0.93 FOLR1 (0.50) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL11887211 0.93 FOLH1 (0.52) FOLH1FOLR1PTPN1HTR1ACHRM2
SCHEMBL13671525 0.93 FOLH1 (0.52) FOLH1FOLR1PTPN1HTR1ACHRM2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782497-B2 Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors PURDUE RESEARCH FOUNDATION (US) 2017-10-10 US disclosed
US-20170281800-A9 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION 2017-10-05 US disclosed
US-20160339122-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION (US) 2016-11-24 US disclosed
US-9341629-B2 Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors PURDUE RESEARCH FOUNDATION (US) 2016-05-17 US disclosed
US-9333270-B2 Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors PURDUE RESEARCH FOUNDATION (US) 2016-05-10 US disclosed
US-20160011199-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION 2016-01-14 US disclosed
US-9061057-B2 Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors PURDUE RESEARCH FOUNDATION (US) 2015-06-23 US disclosed
US-20140271476-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION (US) 2014-09-18 US disclosed
US-20140271482-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION (US) 2014-09-18 US 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 (5 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-20160011199-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 FOLH1 10/4885FOLR1 5/4885PTPN1 4453/4885
US-20170281800-A9 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 FOLH1 10/4885FOLR1 5/4885PTPN1 4453/4885
US-20160339122-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 FOLH1 10/4885FOLR1 5/4885PTPN1 4453/4885
US-20140271476-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 FOLH1 10/4885FOLR1 5/4885PTPN1 4453/4885
US-20140271482-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 FOLH1 10/4885FOLR1 5/4885PTPN1 4453/4885

“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.