SCHEMBL178261

SCHEMBL178261

COc1cc(-c2cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c2)ccc1NN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL178265 0.87 ALDH1A1 (0.44) HPGDHSD17B10CYP1A2TLR7ALDH1A1
SCHEMBL178240 0.79 CA1 (0.36) LMNAALDH1A1CA12CA1CA2
SCHEMBL178222 0.78 SCN9A (0.37) LMNAALDH1A1CA12CA1CA2
SCHEMBL178133 0.77 CYP2D6 (0.44) TLR7ALDH1A1MAPTCA12CA1
SCHEMBL178221 0.75 IRAK4 (0.39) ALDH1A1
SCHEMBL178267 0.73 TLR7 (0.35) HPGDHSD17B10CYP1A2TLR7ALDH1A1
SCHEMBL15400635 0.72 ULK1 (0.33)
SCHEMBL21524633 0.71 CYP2D6 (0.41) HSD17B10LMNATLR7ALDH1A1KDM4E
SCHEMBL17689338 0.71 HDAC3 (0.38) HPGDLMNATLR7ALDH1A1MEN1
SCHEMBL178262 0.70 CNR1 (0.34) HPGDTLR7ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11624089-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2023-04-11 US disclosed
US-20200232023-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2020-07-23 US disclosed
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
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
WO-2012027618-A2 FUNCTIONALIZED CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed
WO-2012027623-A2 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO 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 (5 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 HPGD 4047/4885HSD17B10 2927/4885LMNA 1823/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR HPGD 4047/4885HSD17B10 2927/4885LMNA 1823/4885
US-20120052506-A1 CYANINE DYES ABCG2, IK, ACR HPGD 4047/4885HSD17B10 2927/4885LMNA 1823/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR HPGD 4047/4885HSD17B10 2927/4885LMNA 1823/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR HPGD 3467/4885HSD17B10 3214/4885LMNA 2335/4885

“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.