SCHEMBL2245233

SCHEMBL2245233

C=CCN(CCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
S1PR1 P21453 1/20 0.40
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
LTA4H P09960 1/20 0.33
ALOX5 P09917 1/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.33
C5AR1 P21730 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
SCHEMBL10799825 0.91 ESR1 (0.46) ESR1S1PR1CYP1A2SMN1; SMN2MEN1
SCHEMBL9347243 0.85 LTA4H (0.38) ESR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL242391 0.80 KMT2A (0.46) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL30848429 0.78 KMT2A (0.45) ESR1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5523437 0.78 KMT2A (0.45) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL10664734 0.78 TSHR (0.47) ESR1SMN1; SMN2KDM4ELTA4HTSHR
SCHEMBL6302960 0.78 ESR1 (0.48) ESR1MEN1KMT2AKDM4ERAB9A
SCHEMBL10660644 0.77 RORC (0.42) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL9324828 0.76 CNR2 (0.49) ESR1MEN1KMT2AKDM4ERAB9A
SCHEMBL8521108 0.75 CYP1A2 (0.42) ESR1S1PR1CYP1A2SMN1; SMN2MEN1

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 20 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
EP-1230381-A4 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE CATCH INC (US) 2004-10-13 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
EP-1230381-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE Catch, Inc. (US) 2002-08-14 EP disclosed
WO-2001033187-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE CATCH, INC. (US) 2001-05-10 WO disclosed