SCHEMBL41357

SCHEMBL41357

CC[N+]1=C(C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
THRB P10828 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL5490816 0.87 LMNA (0.62) LMNATDP1MAPTMEN1THRB
SCHEMBL1367336 0.87 LMNA (0.61) LMNATDP1MAPTMEN1THRB
SCHEMBL7750100 0.86 LMNA (0.47) LMNATDP1MAPTMEN1THRB
Water SCHEMBL6796016 0.85 LMNA (0.60) LMNATDP1MAPTMEN1THRB
SCHEMBL29949152 0.84 LMNA (0.44) LMNATDP1MAPTMEN1THRB
SCHEMBL25571104 0.83 LMNA (0.43) LMNATDP1MAPTMEN1THRB
SCHEMBL7750531 0.83 KMT2A (0.43) LMNATDP1MAPTMEN1THRB
SCHEMBL7740549 0.82 KMT2A (0.56) LMNATDP1MAPTMEN1THRB
SCHEMBL4725918 0.82 LMNA (0.43) LMNATDP1MAPTMEN1THRB
SCHEMBL14811317 0.82 LMNA (0.56) LMNATDP1MAPTMEN1THRB

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113462186-A sulfo-Cy 3 carboxylic acid fluorescent dye and preparation process thereof 江西高信前沿科技有限公司 2021-10-01 CN claimed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US claimed
CN-113462186-A sulfo-Cy 3 carboxylic acid fluorescent dye and preparation process thereof 江西高信前沿科技有限公司 2021-10-01 CN disclosed
US-10267737-B2 Near-infrared fluorescent probe for detecting alkaline phosphatase and manufacturing method thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2019-04-23 US disclosed
US-20180149596-A1 NEAR-INFRARED FLUORESCENT PROBE FOR DETECTING ALKALINE PHOSPHATASE AND MANUFACTURING METHOD THEREOF KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2018-05-31 US disclosed
US-9738786-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2017-08-22 US disclosed
EP-2758475-B1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD (GB) 2017-04-26 EP disclosed
US-20160355683-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2016-12-08 US disclosed
US-9376568-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2016-06-28 US disclosed
US-20150274976-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2015-10-01 US disclosed
US-9085698-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2015-07-21 US disclosed
EP-0898596-B1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-08-29 EP disclosed
US-6225050-B1 LABELING PROTEINS, CELLS, NUCLEIC ACIDS, SUGARS, CARBOHYDRATES, OR MIXTURES USING CYANINE DYE WHICH REACTS WITH AMINE, SULFHYDRYL, OR HYDROXY GROUPS OF COMPONENT CARNEGIE MELLON UNIVERSITY 2001-05-01 US disclosed
WO-2000075237-A2 pH SENSITIVE CYANINE DYES AS REACTIVE FLUORESCENT REAGENTS CARNEGIE MELLON UNIVERSITY (US) 2000-12-14 WO disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed
EP-1002020-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES Nycomed Amersham plc (GB) 2000-05-24 EP disclosed
US-6048982-A OXAZOLE, THIAZOLE OR IMIDAZOLE CYANINE DYES FOR LABELS CARNEGIE MELLON UNIVERSITY (US) 2000-04-11 US disclosed
EP-0898596-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD Amersham Pharmacia Biotech UK Limited (GB) 1999-03-03 EP disclosed
WO-1999007793-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES NYCOMED AMERSHAM PLC (GB) 1999-02-18 WO disclosed
WO-1997040104-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-10-30 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 (3 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 LMNA 2246/4885TDP1 3769/4885MAPT 4753/4885
US-10267737-B2 Near-infrared fluorescent probe for detecting alkaline phosphatase and manufacturing method thereof ALPL, ALPI, ALPP LMNA 1294/4885TDP1 1578/4885MAPT 2477/4885
US-20180149596-A1 NEAR-INFRARED FLUORESCENT PROBE FOR DETECTING ALKALINE PHOSPHATASE AND MANUFACTURING METHOD THEREOF ALPL, ALPI, ALPP LMNA 1294/4885TDP1 1578/4885MAPT 2477/4885

“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.