SCHEMBL178265

SCHEMBL178265

COc1cc(-c2cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MAP3K11 Q16584 1/20 0.37

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
SCHEMBL178261 0.87 HPGD (0.41) ALDH1A1HSD17B10TLR7CYP1A2MAPT
SCHEMBL178133 0.81 CYP2D6 (0.44) ALDH1A1TLR7MAPTCA12CA1
SCHEMBL178221 0.79 IRAK4 (0.39) ALDH1A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL178267 0.77 TLR7 (0.35) ALDH1A1HSD17B10MAPK1PIK3CAMAPK8
SCHEMBL178240 0.76 CA1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL178222 0.75 SCN9A (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL21524633 0.75 CYP2D6 (0.41) ALDH1A1HSD17B10TLR7CA1CA2
SCHEMBL178262 0.74 CNR1 (0.34) ALDH1A1TLR7HPGDPKM
Sulfuric Acid SCHEMBL7630472 0.73 ALDH1A1 (0.77) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL16252079 0.73 TLR7 (0.34) TLR7CYP1A2PTAFRHDAC3HDAC4

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 ALDH1A1 1447/4885HSD17B10 2927/4885CYP3A4 569/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR ALDH1A1 1447/4885HSD17B10 2927/4885CYP3A4 569/4885
US-20120052506-A1 CYANINE DYES ABCG2, IK, ACR ALDH1A1 1447/4885HSD17B10 2927/4885CYP3A4 569/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR ALDH1A1 1447/4885HSD17B10 2927/4885CYP3A4 569/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR ALDH1A1 1508/4885HSD17B10 3214/4885CYP3A4 429/4885

“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.