SCHEMBL101427

SCHEMBL101427

CCCN(CCS(=O)(=O)O)C(=O)c1cc(/C=C/C(C)C)ccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
APP P05067 3/20 0.34
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
SCN9A Q15858 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
OPRK1 P41145 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL100588 0.96 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPT
SCHEMBL101515 0.88 SCN9A (0.33) APPBACE1TP53SCN9A
SCHEMBL16784862 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPT
SCHEMBL10111164 0.81 SCN9A (0.31) SCN9A
SCHEMBL100972 0.76 KDM4C (0.36) KDM4E
SCHEMBL19976526 0.75 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKDM4ETP53
SCHEMBL101338 0.70 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1KDM4EHPGDTP53
SCHEMBL16569986 0.68 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTBACE1KDM4E
SCHEMBL206112 0.68 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPT
SCHEMBL22259789 0.67 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPT

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 11 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-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 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-20120052506-A1 CYANINE DYES 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-20120052506-A1 CYANINE DYES ABCG2, IK, ACR ALDH1A1 1447/4885L3MBTL1 3368/4885MAPT 2014/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR ALDH1A1 1508/4885L3MBTL1 3312/4885MAPT 1605/4885

“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.