SCHEMBL178133

SCHEMBL178133

Nc1ccc(-c2cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HIF1A Q16665 1/20 0.43
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ULK1 O75385 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
SCN9A Q15858 1/20 0.36
LIPC P11150 3/20 0.36
SETD7 Q8WTS6 1/20 0.35
PRMT1 Q99873 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
SCHEMBL178221 0.90 IRAK4 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC10
SCHEMBL178240 0.87 CA1 (0.36) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL21524633 0.86 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC10
SCHEMBL178265 0.81 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL178222 0.80 SCN9A (0.37) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL10126516 0.77 LMNA (0.36) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL10127277 0.77 MAOB (0.39) CA1CA2CA12CA9CA14
SCHEMBL178236 0.77 ACP1 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL17689338 0.77 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL178261 0.77 HPGD (0.41) CA1CA2CA12CA9ALDH1A1

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 CYP2D6 1589/4885HDAC3 3571/4885HDAC1 4505/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR CYP2D6 1589/4885HDAC3 3571/4885HDAC1 4505/4885
US-20120052506-A1 CYANINE DYES ABCG2, IK, ACR CYP2D6 1589/4885HDAC3 3571/4885HDAC1 4505/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR CYP2D6 1589/4885HDAC3 3571/4885HDAC1 4505/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR CYP2D6 1808/4885HDAC3 3033/4885HDAC1 4222/4885

“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.