SCHEMBL2245231

SCHEMBL2245231

C=CCN(c1ccccc1)C(CC)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
S1PR1 P21453 1/20 0.39
RAB9A P51151 2/20 0.37
LMNA P02545 3/20 0.36
C5AR1 P21730 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 3/20 0.33
GLA P06280 1/20 0.33
NR3C2 P08235 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1013130 0.83 TP53 (0.44) ESR1LMNAMAPTTSHRTP53
SCHEMBL10799818 0.82 ESR1 (0.44) ESR1S1PR1RAB9ALMNAC5AR1
SCHEMBL9555105 0.81 TP53 (0.43) ESR1LMNAMAPTTSHRTP53
SCHEMBL6302958 0.78 ESR1 (0.46) ESR1RAB9AMAPTTP53ALDH1A1
SCHEMBL9347228 0.76 ESR1 (0.44) ESR1LMNATSHRTP53ALDH1A1
SCHEMBL5367358 0.76 TAAR1 (0.42) ESR1S1PR1RAB9ALMNAC5AR1
SCHEMBL6310444 0.74 TP53 (0.41) ESR1LMNAMAPTTSHRTP53
SCHEMBL11788444 0.74 S1PR1 (0.38) ESR1S1PR1LMNATSHRTP53
SCHEMBL8615002 0.73 ESR1 (0.40) ESR1S1PR1LMNATSHRTP53
SCHEMBL18537812 0.72 MEN1 (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470242-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE Catch, Inc. (US) 2004-10-27 EP claimed
EP-1230381-A4 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE CATCH INC (US) 2004-10-13 EP claimed
US-6664073-B1 Contacting with cystathionine beta-synthase, L-serine, and cystathionine beta-lyase to catalyze the cyclical conversion of homocysteine to cystathionine and the reconversion of cystathionine to homocysteine; pyruvate and NH3 CATCH INC. 2003-12-16 US claimed
US-6635438-B2 Beta-synthase, L-serine, cystathionine beta-lyase; amount of pyruvate and/or ammonia produced from reconversion of cystathionine to homocysteine; improvement comprises completing the enzymatic conversion in less than 15 minutes CATCH, INC. 2003-10-21 US claimed
US-20030138872-A1 Enzymatic cycling assays for homocysteine and cystathionine AXIS-SHIELD DIAGNOSTICS, LTD. (GB) 2003-07-24 US claimed
WO-2003040694-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE CATCH, INC. (US) 2003-05-15 WO claimed
EP-1230381-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE Catch, Inc. (US) 2002-08-14 EP claimed
WO-2001033187-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE CATCH, INC. (US) 2001-05-10 WO claimed
EP-1470242-B1 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE AXIS SHIELD DIAGNOSTICS LTD (GB) 2013-08-14 EP disclosed
EP-1230381-B1 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE AXIS SHIELD DIAGNOSTICS LTD (GB) 2011-07-27 EP disclosed
US-6867014-B2 Enzymatic cycling assays for homocysteine and cystathionine CATCH, INC. 2005-03-15 US disclosed
EP-1470242-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE Catch, Inc. (US) 2004-10-27 EP disclosed
US-20040096929-A1 Enzymatic cycling assays for homocysteine and cystathionine AXIS-SHIELD DIAGNOSTICS, LTD. (GB) 2004-05-20 US disclosed
US-6664073-B1 Contacting with cystathionine beta-synthase, L-serine, and cystathionine beta-lyase to catalyze the cyclical conversion of homocysteine to cystathionine and the reconversion of cystathionine to homocysteine; pyruvate and NH3 CATCH INC. 2003-12-16 US disclosed
US-6635438-B2 Beta-synthase, L-serine, cystathionine beta-lyase; amount of pyruvate and/or ammonia produced from reconversion of cystathionine to homocysteine; improvement comprises completing the enzymatic conversion in less than 15 minutes CATCH, INC. 2003-10-21 US disclosed
US-20030138872-A1 Enzymatic cycling assays for homocysteine and cystathionine AXIS-SHIELD DIAGNOSTICS, LTD. (GB) 2003-07-24 US disclosed
WO-2003040694-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE CATCH, INC. (US) 2003-05-15 WO disclosed