SCHEMBL560834

SCHEMBL560834

CC1Nc2ccc(S(=O)(=O)O)cc2C1(C)C.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
AR P10275 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SNCA P37840 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 3/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL304685 0.98 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL304686 0.98 CA1 (0.38) CA1CA2CA12CA7CA14
Potassium SCHEMBL4418575 0.97 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL4296989 0.78 ALDH1A1 (0.42) SNCAALDH1A1HSD17B10TDP1KDM4E
SCHEMBL3433055 0.77 ALDH1A1 (0.39) CA1CA2CA12CA7CA14
SCHEMBL6537392 0.77 MAPT (0.36) ARALDH1A1MEN1KMT2AMAPT
SCHEMBL4296863 0.76 ALDH1A1 (0.42) SNCAALDH1A1HSD17B10TDP1KDM4E
SCHEMBL24725924 0.74 MRGPRX2 (0.40) AR
SCHEMBL11326119 0.73 AR (0.39) CA1CA2CA12CA7AR
SCHEMBL11516736 0.73 ALDH1A1 (0.39) CA1CA2CA12ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9110069-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2015-08-18 US disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
US-20140086844-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2014-03-27 US disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
US-8552027-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2013-10-08 US disclosed
US-20120035346-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2012-02-09 US disclosed
EP-1078023-B1 LUMINESCENT COMPOUNDS LUMINEX CORPORATION (US) 2011-01-05 EP disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
US-7608244-B2 Hydrophilic light absorbing compositions for determination of physiological function in critically ill patients MALLINCKRODT INC. (US) 2009-10-27 US disclosed
US-20090263327-A1 MINIMALLY INVASIVE PHYSIOLOGICAL FUNCTION MONITORING AGENTS MALLINCKRODT INC. (US) 2009-10-22 US disclosed
EP-1326647-A1 LIGHT SENSITIVE COMPOUNDS FOR INSTANT DETERMINATION OF ORGAN FUNCTION Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326648-A1 NOVEL DYES FOR ORGAN FUNCTION MONITORING Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326650-A2 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326649-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2003-07-16 EP disclosed
US-6538129-B1 Luminescent compounds Terpetschnig, Ewald A. 2003-03-25 US disclosed
WO-2002032285-A2 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032421-A1 INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032464-A1 NOVEL DYES FOR ORGAN FUNCTION MONITORING MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032465-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032466-A1 LIGHT SENSITIVE COMPOUNDS FOR INSTANT DETERMINATION OF ORGAN FUNCTION MALLINCKRODT INC. (US) 2002-04-25 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 (4 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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 CA1 1823/4885CA2 1322/4885CA12 1303/4885
US-20140086844-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS CA1 4534/4885CA2 4026/4885CA12 4353/4885
US-20120035346-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS CA1 4544/4885CA2 3906/4885CA12 4242/4885
US-20090263327-A1 MINIMALLY INVASIVE PHYSIOLOGICAL FUNCTION MONITORING AGENTS TNNI3, MB, TNNT2 CA1 916/4885CA2 457/4885CA12 358/4885

“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.