SCHEMBL10026430

SCHEMBL10026430

CC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(SOOO)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
ADORA1 P30542 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
FOLH1 Q04609 2/20 0.43
CXCR4 P61073 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
PRMT1 Q99873 2/20 0.41
TLR8 Q9NR97 1/20 0.41
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
NPY4R P50391 2/20 0.40
HRH1 P35367 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL10026433 1.00 PTPN1 (0.43) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL13966821 0.97 PTPN1 (0.46) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL12056708 0.95 PTPN1 (0.43) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL13990345 0.95 PTPN1 (0.49) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL13038510 0.93 ADORA1 (0.46) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL13223430 0.93 PTPN1 (0.49) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL14507752 0.93 PTPN1 (0.46) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL13223420 0.92 PTPN1 (0.52) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL31674617 0.91 PTPN1 (0.50) PTPN1OPRM1OPRK1ADORA1ADORA3
SCHEMBL13498726 0.91 PTPN1 (0.50) PTPN1OPRM1OPRK1ADORA1ADORA3

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-8148539-B2 Cyanine dye labelling reagents GE HEALTHCARE UK LIMITED (GB) 2012-04-03 US disclosed
US-20100267937-A1 Cyanine Dye Labelling Reagents WEST RICHARD M 2010-10-21 US disclosed
US-7750163-B2 Cyanine dye labelling reagents GE Healthcare U.K. Limited (GB) 2010-07-06 US disclosed
US-20070203343-A1 Cyanine Dye Labelling Reagents GE HEALTHCARE UK LIMITED (GB) 2007-08-30 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 (2 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-20070203343-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 PTPN1 3323/4885OPRM1 4121/4885OPRK1 3216/4885
US-20100267937-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 PTPN1 3312/4885OPRM1 4270/4885OPRK1 3564/4885

“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.