SCHEMBL100951

SCHEMBL100951

CCCCCN1/C(=C/C=C/C2=[N+](CCCS(=O)(=O)O)c3cccc(C(=O)O)c3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
CHRM1 P11229 3/20 0.51
CHRM3 P20309 3/20 0.51
HRH2 P25021 3/20 0.51
OPRK1 P41145 2/20 0.51
ADORA1 P30542 2/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
ADRB1 P08588 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CNR1 P21554 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2C P28335 1/20 0.51
BDKRB2 P30411 1/20 0.51

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
SCHEMBL254643 0.86 PTPN1 (0.50) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL19052129 0.85 PTPN1 (0.53) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL16252080 0.85 PTPN1 (0.52) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL19052133 0.85 HRH2 (0.51) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL19052125 0.84 PTPN1 (0.63) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL29331212 0.84 FOLH1 (0.49) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL101316 0.84 PTPN1 (0.47) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL19063567 0.84 PTPN1 (0.69) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL278727 0.83 PTPN1 (0.68) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL19052123 0.83 PTPN1 (0.59) PTPN1CHRM1CHRM3HRH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 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 (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-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR PTPN1 2518/4885CHRM1 2004/4885CHRM3 2005/4885

“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.