SCHEMBL992370

SCHEMBL992370

C=CCOC(=O)NCc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.53
ALDH1A1 P00352 3/20 0.44
ERN1 O75460 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRSS1 P07477 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
PLAU P00749 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TGM2 P21980 1/20 0.41
CYP3A4 P08684 1/20 0.41
NAMPT P43490 1/20 0.41
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL991807 0.87 CASP1 (0.53) CASP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL992013 0.86 CASP1 (0.50) CASP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL13977813 0.86 CASP1 (0.52) CASP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL13978206 0.86 TPSAB1 (0.55) CASP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL993781 0.86 CASP1 (0.52) CASP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL13533564 0.86 CASP1 (0.52) CASP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL13978142 0.86 MAPT (0.53) CASP1ALDH1A1MEN1KMT2ATP53
SCHEMBL7624194 0.85 CASP1 (0.68) CASP1ALDH1A1PLAUCYP3A4NAMPT
SCHEMBL992356 0.84 CASP1 (0.51) CASP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL8870036 0.84 CSNK2A2 (0.54) CASP1ALDH1A1MEN1KMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451776-B1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-09-18 EP disclosed
US-9732047-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-15 US disclosed
EP-2240206-B1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2017-03-22 EP disclosed
US-20170029386-A9 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-02-02 US disclosed
US-9393329-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2016-07-19 US disclosed
US-20160185737-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2016-06-30 US disclosed
US-9266846-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2016-02-23 US disclosed
US-20150094465-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2015-04-02 US disclosed
US-20150078997-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2015-03-19 US disclosed
US-8877157-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-04 US disclosed
US-8852553-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2014-10-07 US disclosed
US-20130315822-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2013-11-28 US disclosed
US-8361438-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-29 US disclosed
US-20120328514-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2012-12-27 US disclosed
EP-2451776-A2 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2012-05-16 EP disclosed
WO-2011005322-A2 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2011-01-13 WO disclosed
EP-2240206-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2010-10-20 EP disclosed
US-20090252676-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC (US) 2009-10-08 US disclosed
WO-2009089022-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2009-07-16 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 (7 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-20150094465-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885ALDH1A1 1479/4885ERN1 1822/4885
US-20170029386-A9 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885ALDH1A1 1479/4885ERN1 1822/4885
US-20130315822-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885ALDH1A1 1479/4885ERN1 1822/4885
US-20160185737-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885ALDH1A1 1479/4885ERN1 1822/4885
US-20120328514-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885ALDH1A1 1479/4885ERN1 1822/4885
US-20150078997-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885ALDH1A1 1479/4885ERN1 1822/4885
US-20090252676-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885ALDH1A1 1479/4885ERN1 1822/4885

“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.