SCHEMBL304685

SCHEMBL304685

CC1Nc2ccc(S(=O)(=O)O)cc2C1(C)C

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 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 3/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 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

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
SCHEMBL304686 1.00 CA1 (0.38) CA1CA2CA12CA7CA14
Potassium SCHEMBL4418575 0.98 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL560834 0.98 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL3433055 0.79 ALDH1A1 (0.39) CA1CA2CA12CA7CA14
SCHEMBL6537392 0.78 MAPT (0.36) ARALDH1A1LMNAMEN1KMT2A
SCHEMBL4296863 0.77 ALDH1A1 (0.42) SNCAALDH1A1HSD17B10TDP1KDM4E
SCHEMBL4296989 0.76 ALDH1A1 (0.42) SNCAALDH1A1HSD17B10TDP1KDM4E
SCHEMBL24725924 0.75 MRGPRX2 (0.40) AR
SCHEMBL11326119 0.74 AR (0.39) CA1CA2CA12CA7AR
SCHEMBL11516736 0.74 ALDH1A1 (0.39) CA1CA2CA12ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150330973-A1 Kits for analysis of biological samples ANASPEC INCORPORATED (US) 2015-11-19 US disclosed
US-20150259535-A1 Fluorescent dyes ANASPEC INC (US) 2015-09-17 US disclosed
US-9006469-B2 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2015-04-14 US disclosed
US-8999690-B2 Kits for analysis of biological samples ANASPEC INCORPORATED (US) 2015-04-07 US disclosed
US-8921543-B2 Fluorescent dyes ANASPEC INCORPORATED (US) 2014-12-30 US disclosed
US-20140031524-A1 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2014-01-30 US disclosed
US-20130210113-A1 SMALL MOLECULE DYE CONJUGATES ANASPEC INCORPORATED (US) 2013-08-15 US disclosed
US-8426618-B2 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2013-04-23 US disclosed
US-8304560-B2 Aptamer conjugates ANASPEC INCORPORATED (US) 2012-11-06 US disclosed
US-20120258514-A1 Kits for analysis of biological samples ANASPEC INCORPORATED (US) 2012-10-11 US disclosed
US-6656451-B1 Polyhydroxy-polysulphonyl-glucose-benz(e)indoles; absorb and fluoresce in visible region; optical diagnosis of renal and cardiac diseases MALLINCKRODT, INC. 2003-12-02 US disclosed
US-20030202941-A1 Indole compounds as dynamic organ function monitoring agents MALLINCKRODT INC. 2003-10-30 US disclosed
EP-1326649-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2003-07-16 EP disclosed
EP-1326651-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326602-A1 INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS MALLINCKRODT INC. (US) 2003-07-16 EP disclosed
US-6538129-B1 Luminescent compounds Terpetschnig, Ewald A. 2003-03-25 US disclosed
US-6498945-B1 FREE RADICAL GENERATION OF WATER SOLUBLE POLYMER TO ENHANCE CYTOPATHOGENIC EFFICACY AMERSHAM HEALTH AS (NO) 2002-12-24 US disclosed
WO-2002032421-A1 INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS 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-2002032860-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS 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-20130210113-A1 SMALL MOLECULE DYE CONJUGATES SLC7A5, LIG1, SLC43A1 CA1 1146/4885CA2 2365/4885CA12 698/4885
US-20030202941-A1 Indole compounds as dynamic organ function monitoring agents IDO1, IDO2, TPH1 CA1 1755/4885CA2 1000/4885CA12 1136/4885
US-20120258514-A1 Kits for analysis of biological samples C9, HLCS, MB CA1 235/4885CA2 1192/4885CA12 417/4885
US-20140031524-A1 Luminescence quenching compounds ABCG2, TYR, GFPT1 CA1 3176/4885CA2 1770/4885CA12 2267/4885

“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.