SCHEMBL19976526

SCHEMBL19976526

CCCc1ccnc(C(=O)N(CCS(=O)(=O)O)CCS(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SMYD3 Q9H7B4 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
OPRK1 P41145 1/20 0.31
NR2F2 P24468 1/20 0.31
PAX8 Q06710 1/20 0.31
KLF5 Q13887 1/20 0.31

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
SCHEMBL21297671 0.84 S1PR2 (0.32) ALDH1A1S1PR2S1PR1S1PR3TP53
SCHEMBL21297672 0.77 LOXL2 (0.42) ALDH1A1SMYD3HTTSMN1; SMN2KDM4E
SCHEMBL16784862 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTCNR2
SCHEMBL101427 0.75 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTTP53KDM4E
SCHEMBL100588 0.73 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPT
SCHEMBL6172313 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTSMYD3KDM5A
SCHEMBL4863083 0.73 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTSMYD3KDM5A
SCHEMBL206112 0.72 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTHCRTR1HCRTR2
SCHEMBL22259789 0.72 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTHCRTR1HCRTR2
SCHEMBL16594468 0.71 NR2F2 (0.43) SMYD3HTTSMN1; SMN2KDM4ENR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392659-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2019-08-27 US disclosed
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 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-10392659-B2 Cyanine dyes ABCG2, IK, ACR ALDH1A1 1447/4885L3MBTL1 3368/4885MAPT 2014/4885

“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.