SCHEMBL101553

SCHEMBL101553

CCCCCCNCc1cc(C(C)C)cc(C(=O)NCCS(=O)(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MAOB P27338 1/20 0.37
NAAA Q02083 3/20 0.34
CA2 P00918 1/20 0.34
CNR1 P21554 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METTL3 Q86U44 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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
SCHEMBL15580854 0.82 TP53 (0.37) KDM4EPOLBTLR7HPGDL3MBTL1
SCHEMBL22328739 0.82 HPGD (0.37) POLBMAPTHPGDHDAC1
SCHEMBL15500255 0.78 AKR1C3 (0.36) MAOBCA2CNR1ADORA2AADORA1
SCHEMBL17299117 0.77 CASR (0.34) HDAC1
SCHEMBL21524634 0.77 LMNA (0.47) EPHX1KDM4ECA2POLBHPGD
SCHEMBL21297663 0.77 MAPK8 (0.35) KDM4EMAOBPOLBTLR7HPGD
SCHEMBL19976528 0.76 PDE5A (0.42) KDM4EPOLBMAPK1
SCHEMBL19976563 0.76 METTL3 (0.36) MAOBCA2CNR1ADORA2AADORA1
SCHEMBL19976541 0.75 CNR2 (0.39) CNR1HDAC1HDAC2
SCHEMBL101551 0.74 METTL3 (0.31) TLR7METTL3HDAC1

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 9 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-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 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 EPHX1 3319/4885KDM4E 2687/4885MAOB 1925/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR EPHX1 3325/4885KDM4E 2522/4885MAOB 2090/4885

“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.