SCHEMBL101050

SCHEMBL101050

CC1=Nc2cccc(S(=O)(=O)O)c2C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MYC P01106 1/20 0.37
TTR P02766 1/20 0.35
SNCA P37840 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
ATIC P31939 1/20 0.31
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP2 Q9HC62 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4014873 0.98 MEN1 (0.47) MEN1KMT2AMYCTTRSNCA
SCHEMBL14566372 0.84 MEN1 (0.55) MEN1KMT2AMYCTTRSNCA
SCHEMBL4017031 0.83 MEN1 (0.45) MEN1KMT2ATDP1
SCHEMBL12146309 0.83 MEN1 (0.54) MEN1KMT2AMYCTTRSNCA
Potassium Ion SCHEMBL4014871 0.82 MEN1 (0.44) MEN1KMT2A
SCHEMBL10064492 0.81 MEN1 (0.43) MEN1KMT2A
SCHEMBL5699565 0.78 KMT2A (0.41) MEN1KMT2AKDM4EAPEX1
SCHEMBL135180 0.78 MEN1 (0.36) MEN1KMT2A
SCHEMBL7701818 0.77 MEN1 (0.54) MEN1KMT2ATTRSNCATDP1
SCHEMBL4999732 0.77 MEN1 (0.35) MEN1KMT2AMYCAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662564-A Heptamethine sulfonic group indocyanine dye, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2020-09-15 CN claimed
CN-111662564-A Heptamethine sulfonic group indocyanine dye, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2020-09-15 CN 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
EP-1810998-B1 Fluorescent cyanine dye FERRANIA TECHNOLOGIES SPA (IT) 2014-03-12 EP 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
EP-1810998-A2 Fluorescent cyanine dye Ferrania Technologies S.p.A. (IT) 2007-07-25 EP 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 MEN1 2288/4885KMT2A 2564/4885MYC 2134/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR MEN1 3947/4885KMT2A 3543/4885MYC 2162/4885

“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.