SCHEMBL714358

SCHEMBL714358

CC1(C)C(/C=C/C=C/Nc2ccccc2)=[N+](CCCS(=O)(=O)O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.47
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
CNR1 P21554 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2C P28335 1/20 0.42
BDKRB2 P30411 1/20 0.42
ADORA1 P30542 1/20 0.42
AGTR1 P30556 1/20 0.42

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
SCHEMBL714359 1.00 FOLH1 (0.47) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL14404497 0.94 FOLH1 (0.51) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL135883 0.91 MLNR (0.41) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL20150958 0.90 FOLH1 (0.54) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL13820017 0.90 FOLH1 (0.42) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL19976565 0.87 FOLH1 (0.41) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL134460 0.85 MLNR (0.37) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL136455 0.85 CHRM1 (0.35) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL14695541 0.84 FOLH1 (0.58) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL14695543 0.84 FOLH1 (0.58) FOLH1MLNRNR1I2PGRADRB1

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-9499862-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-11-22 US disclosed
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-07-16 US disclosed
US-8993737-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES, INC. (US) 2015-03-31 US disclosed
US-20120052507-A1 PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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-20120052507-A1 PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER CHAMP1, MTAP, INCENP FOLH1 614/4885MLNR 1413/4885NR1I2 4856/4885
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker INCENP, CHAMP1, PNKP FOLH1 786/4885MLNR 2267/4885NR1I2 4846/4885

“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.