SCHEMBL136522

SCHEMBL136522

CC1=[N+](CCCS(=O)(=O)O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc3c2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.41
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADRB1 P08588 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL15095683 0.93 FOLH1 (0.44) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19895035 0.92 FOLH1 (0.43) FOLH1
SCHEMBL15095693 0.89 FOLH1 (0.45) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25790183 0.88 FOLH1 (0.40) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL140184 0.88 FOLH1 (0.31) FOLH1
SCHEMBL14299278 0.87 FOLH1 (0.36) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL16252460 0.86 FOLH1 (0.37) FOLH1KMT2A
SCHEMBL716120 0.86 FOLH1 (0.47) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10111349 0.86 FOLH1 (0.39) FOLH1ALDH1A1
SCHEMBL20150964 0.86 FOLH1 (0.47) FOLH1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-9499862-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-11-22 US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 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-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-8993737-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES, INC. (US) 2015-03-31 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
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 (3 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 614/4885HDAC3 4748/4885HDAC4 4727/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR FOLH1 1390/4885HDAC3 3033/4885HDAC4 4204/4885
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker INCENP, CHAMP1, PNKP FOLH1 786/4885HDAC3 4189/4885HDAC4 4324/4885

“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.