SCHEMBL178222

SCHEMBL178222

NNc1ccc2cc(-c3cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
ULK1 O75385 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
LIPC P11150 4/20 0.33
LIPG Q9Y5X9 4/20 0.33
ALDH1A1 P00352 1/20 0.33
RCE1 Q9Y256 1/20 0.33
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL178240 0.90 CA1 (0.36) SCN9AULK1IRAK4LIPCLIPG
SCHEMBL178221 0.86 IRAK4 (0.39) SCN9AULK1IRAK4LIPCALDH1A1
SCHEMBL178133 0.80 CYP2D6 (0.44) SCN9AULK1IRAK4LIPCLIPG
SCHEMBL178261 0.78 HPGD (0.41) ALDH1A1CA1CA2CA12CA9
SCHEMBL178265 0.75 ALDH1A1 (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21524633 0.74 CYP2D6 (0.41) SCN9AULK1IRAK4ALDH1A1RCE1
SCHEMBL178268 0.72 MEN1 (0.40) SCN9AULK1IRAK4ALDH1A1RCE1
SCHEMBL22259628 0.71 IRAK4 (0.32) ULK1IRAK4
SCHEMBL10127277 0.71 MAOB (0.39) ALDH1A1KCNH2CA1CA2CA12
SCHEMBL10126516 0.71 LMNA (0.36) SCN9AULK1ALDH1A1RCE1SCN7A

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 SCN9A 2971/4885ULK1 4131/4885IRAK4 3653/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR SCN9A 2971/4885ULK1 4131/4885IRAK4 3653/4885
US-20120052506-A1 CYANINE DYES ABCG2, IK, ACR SCN9A 2971/4885ULK1 4131/4885IRAK4 3653/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR SCN9A 2971/4885ULK1 4131/4885IRAK4 3653/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR SCN9A 3712/4885ULK1 3305/4885IRAK4 2930/4885

“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.