SCHEMBL991422

SCHEMBL991422

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.55
FFAR1 O14842 8/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FFAR4 Q5NUL3 3/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL7624194 0.83 CASP1 (0.68) CASP1ALDH1A1
SCHEMBL991571 0.83 CASP1 (0.49) CASP1ALDH1A1
SCHEMBL8870036 0.82 CSNK2A2 (0.54) CASP1FFAR1EPHX2NR1H4ALDH1A1
SCHEMBL991807 0.82 CASP1 (0.53) CASP1EPHX2ALDH1A1
SCHEMBL992370 0.82 CASP1 (0.53) CASP1ALDH1A1
SCHEMBL31437081 0.82 FFAR1 (0.52) CASP1FFAR1ALDH1A1FFAR4
SCHEMBL13978206 0.81 TPSAB1 (0.55) CASP1ALDH1A1
SCHEMBL13533564 0.81 CASP1 (0.52) CASP1EPHX2ALDH1A1
SCHEMBL993781 0.81 CASP1 (0.52) CASP1ALDH1A1
SCHEMBL13977813 0.81 CASP1 (0.52) CASP1ALDH1A1

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 30 patents — showing the first 20. 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
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-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-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-20160185737-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2016-06-30 US disclosed
US-8361438-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-29 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
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
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 (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-20170029386-A9 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885FFAR1 997/4885EPHX2 597/4885
US-20160185737-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885FFAR1 997/4885EPHX2 597/4885
US-20120328514-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885FFAR1 997/4885EPHX2 597/4885
US-20090252676-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885FFAR1 997/4885EPHX2 597/4885

“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.