SCHEMBL559886

SCHEMBL559886

CC1=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)CCCCCC(=O)O.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.33
HTR1A P08908 2/20 0.33
ALDH1A1 P00352 3/20 0.31
PARP1 P09874 1/20 0.31
BRD4 O60885 1/20 0.31
TBXA2R P21731 1/20 0.31
CYP26B1 Q9NR63 1/20 0.30
PKM P14618 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL1656937 0.99 ADRB2 (0.33) ADRB2HTR1AALDH1A1PARP1BRD4
SCHEMBL559885 0.98 ADRB2 (0.33) ADRB2HTR1AALDH1A1PARP1BRD4
SCHEMBL12952231 0.96 ADRB2 (0.32) ADRB2HTR1AALDH1A1TBXA2RCYP26B1
SCHEMBL178258 0.95 ALDH1A1 (0.32) ADRB2HTR1AALDH1A1TBXA2RCYP26B1
SCHEMBL3239947 0.94 ALDH1A1 (0.32) ALDH1A1CYP26B1
SCHEMBL11912398 0.93 ALDH1A1 (0.33) ALDH1A1TBXA2RCYP26B1PKMP2RX3
SCHEMBL15227488 0.89 ADRB2 (0.32) ADRB2HTR1AALDH1A1PARP1BRD4
SCHEMBL1715480 0.89 ADRB2 (0.32) ADRB2HTR1AALDH1A1PARP1BRD4
SCHEMBL2065361 0.89 ALDH1A1 (0.31) ALDH1A1TBXA2RCYP26B1PKM
SCHEMBL3239936 0.89 ALDH1A1 (0.32) ALDH1A1CYP26B1

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 13 patents. 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
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
WO-2010083471-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2010-07-22 WO disclosed
US-7411068-B2 Luminescent compounds SETA BIOMEDICALS, LLC 2008-08-12 US disclosed
US-20070281363-A1 Reporter molecules based on squaric, croconic, and/or rhodizonic acid; photoluminescence Terpetschnig, Ewald (US) 2007-12-06 US disclosed
US-7250517-B2 Luminescent compounds Terpetschnig, Ewald A. (US) 2007-07-31 US disclosed
US-20050202565-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2005-09-15 US disclosed
US-20040166515-A1 Luminescent compounds TERPETSCHNIG, EWALD A. 2004-08-26 US 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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 ADRB2 3327/4885HTR1A 4607/4885ALDH1A1 2552/4885
US-20140086844-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS ADRB2 2578/4885HTR1A 2621/4885ALDH1A1 2920/4885
US-20120035346-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS ADRB2 2657/4885HTR1A 2926/4885ALDH1A1 2941/4885
US-20040166515-A1 Luminescent compounds RORC, NR2E3, RORB ADRB2 1824/4885HTR1A 3912/4885ALDH1A1 1924/4885
US-20070281363-A1 Reporter molecules based on squaric, croconic, and/or rhodizonic acid; photoluminescence SPR, SRRT, SQLE ADRB2 2417/4885HTR1A 4193/4885ALDH1A1 2350/4885

“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.