SCHEMBL3663756

SCHEMBL3663756

C#CCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
MGLL Q99685 3/20 0.37
FAAH O00519 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL13787278 0.90 MAPT (0.33) PTGS1PTGS2MAPTALDH1A1HPGD
SCHEMBL21543626 0.86 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL19575061 0.85 MGLL (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL24168490 0.85 CYP1A2 (0.43) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL3629996 0.84 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL18081561 0.83 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL14984835 0.82 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL19733754 0.81 MGLL (0.39) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18090277 0.81 MGLL (0.34) PTGS1PTGS2MGLLHPGDHTT
SCHEMBL18090275 0.81 MGLL (0.34) PTGS1PTGS2MGLLHPGDHTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231201-B1 SELECTIVE RADIOLABELING OF BIOMOLECULES GEN ELECTRIC (US) 2018-02-14 EP disclosed
EP-2231201-B1 SELECTIVE RADIOLABELING OF BIOMOLECULES GEN ELECTRIC (US) 2018-02-14 EP disclosed
EP-2509638-B1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LTD (GB) 2017-04-19 EP disclosed
US-20160022846-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LTD (GB) 2016-01-28 US disclosed
US-20160022846-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LTD (GB) 2016-01-28 US disclosed
US-20150126708-A1 RADIOFLUORINATION METHOD IMPERIAL INNOVATIONS LIMITED (GB) 2015-05-07 US disclosed
US-20150126708-A1 RADIOFLUORINATION METHOD IMPERIAL INNOVATIONS LIMITED (GB) 2015-05-07 US disclosed
US-8894971-B2 Iodine radiolabelling method GE HEALTHCARE LIMITED (GB) 2014-11-25 US disclosed
US-8894971-B2 Iodine radiolabelling method GE HEALTHCARE LIMITED (GB) 2014-11-25 US disclosed
WO-2013092790-A1 RADIOFLUORINATION METHOD GE HEALTHCARE LIMITED (GB) 2013-06-27 WO disclosed
EP-2591808-A2 Selective radiolabeling of biomolecules General Electric Company (US) 2013-05-15 EP disclosed
US-20120237444-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2012-09-20 US disclosed
US-20120237444-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2012-09-20 US disclosed
WO-2011070136-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2011-06-16 WO disclosed
EP-2231201-A1 SELECTIVE RADIOLABELING OF BIOMOLECULES General Electric Company (US) 2010-09-29 EP disclosed
WO-2009080561-A1 SELECTIVE RADIOLABELING OF BIOMOLECULES GENERAL ELECTRIC COMPANY (US) 2009-07-02 WO disclosed
WO-2009080561-A1 SELECTIVE RADIOLABELING OF BIOMOLECULES GENERAL ELECTRIC COMPANY (US) 2009-07-02 WO disclosed
US-20080161537-A1 SELECTIVE RADIOLABELING OF BIOMOLECULES GENERAL ELECTRIC COMPANY (US) 2008-07-03 US disclosed
US-20080161537-A1 SELECTIVE RADIOLABELING OF BIOMOLECULES GENERAL ELECTRIC COMPANY (US) 2008-07-03 US disclosed
US-20080161537-A1 SELECTIVE RADIOLABELING OF BIOMOLECULES GENERAL ELECTRIC COMPANY (US) 2008-07-03 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 (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-20080161537-A1 SELECTIVE RADIOLABELING OF BIOMOLECULES BTD, TK1, FGB PTGS1 4771/4885PTGS2 4765/4885MGLL 2145/4885
US-20160022846-A1 IODINE RADIOLABELLING METHOD BTD, BTN3A1, BTF3 PTGS1 3090/4885PTGS2 3520/4885MGLL 3277/4885
US-20120237444-A1 IODINE RADIOLABELLING METHOD BTD, BTN3A1, BTF3 PTGS1 3090/4885PTGS2 3520/4885MGLL 3277/4885
US-20150126708-A1 RADIOFLUORINATION METHOD BTD, RABGGTB, PFAS PTGS1 4708/4885PTGS2 4749/4885MGLL 4129/4885

“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.