SCHEMBL30387

SCHEMBL30387

CS(=O)(=O)OC1CCC(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
GRIN2B Q13224 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
KDM4E B2RXH2 5/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11980119 0.87 GAA (0.50) GAAGRIN2BALDH1A1MAPTL3MBTL1
SCHEMBL20760976 0.81 GRIN2B (0.59) GAAGRIN2BALDH1A1MAPTL3MBTL1
SCHEMBL14161697 0.80 GRIN2B (0.76) GAAGRIN2BALDH1A1MAPTL3MBTL1
SCHEMBL25364252 0.77 NOTUM (0.47) L3MBTL1MBTD1L3MBTL3CYP2C9
SCHEMBL13240777 0.76 GRIN2B (0.65) GAAGRIN2BALDH1A1MAPTL3MBTL1
SCHEMBL737747 0.76 GRIN2B (0.65) GAAGRIN2BALDH1A1MAPTL3MBTL1
SCHEMBL11980117 0.76 GRIN2B (0.65) GAAGRIN2BALDH1A1MAPTL3MBTL1
SCHEMBL21410680 0.76 BPTF (0.42) ALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL25260 0.76 GRIN2B (0.65) GAAGRIN2BALDH1A1MAPTL3MBTL1
SCHEMBL20503412 0.75 KDM4E (0.39) GAAALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695449-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2020-06-30 US disclosed
US-10695449-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2020-06-30 US disclosed
US-20190054198-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2019-02-21 US disclosed
US-20190054198-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2019-02-21 US disclosed
US-10098974-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-10-16 US disclosed
US-10058625-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-08-28 US disclosed
US-20150283273-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-10-08 US disclosed
US-20150283273-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-10-08 US disclosed
US-20150283273-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-10-08 US disclosed
US-20150132223-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-05-14 US disclosed
US-20100215578-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2010-08-26 US disclosed
US-20100215578-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2010-08-26 US disclosed
US-7632485-B2 Catalytic radiofluorination MASSACHUSETTS GENERAL HOSPITAL (US) 2009-12-15 US disclosed
US-7632485-B2 Catalytic radiofluorination MASSACHUSETTS GENERAL HOSPITAL (US) 2009-12-15 US disclosed
EP-1725269-A4 CATALYTIC RADIOFLUORINATION GEN HOSPITAL CORP (US) 2009-04-22 EP disclosed
WO-2008022319-A2 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2008-02-21 WO disclosed
CN-1921893-A Catalytic radiofluorination GEN HOSPITAL CORP (US) 2007-02-28 CN disclosed
EP-1725269-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2006-11-29 EP disclosed
US-20050260130-A1 Arylphosphonium compounds containing fluorine-18 that are useful as imaging agents; in particular, the phosphonium compound is a tetraaryl phosphonium salt, [F-18]-(4-fluorophenyl)triphenylphosphonium nitrate; Position Emission Tomography MASSACHUSETTS GENERAL HOSPITAL (US) 2005-11-24 US disclosed
WO-2005082425-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2005-09-09 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 (8 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-10098974-B2 Catalytic radiofluorination ARSA, STS, KCNK18 GAA 490/4885GRIN2B 4059/4885ALDH1A1 1308/4885
US-10058625-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 GAA 1603/4885GRIN2B 4487/4885ALDH1A1 1427/4885
US-20190054198-A1 CATALYTIC RADIOFLUORINATION KCNJ5, KCNQ5, KCNK18 GAA 1603/4885GRIN2B 4487/4885ALDH1A1 1427/4885
US-20050260130-A1 Arylphosphonium compounds containing fluorine-18 that are useful as imaging agents; in particular, the phosphonium compound is a tetraaryl phosphonium salt, [F-18]-(4-fluorophenyl)triphenylphosphonium nitrate; Position Emission Tomography KCNK18, KCNJ5, KCNQ5 GAA 4657/4885GRIN2B 3399/4885ALDH1A1 3071/4885
US-20150283273-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 GAA 1603/4885GRIN2B 4487/4885ALDH1A1 1427/4885
US-10695449-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 GAA 1603/4885GRIN2B 4487/4885ALDH1A1 1427/4885
US-20100215578-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 GAA 1603/4885GRIN2B 4487/4885ALDH1A1 1427/4885
US-20150132223-A1 Catalytic Radiofluorination ARSA, KCNK18, STS GAA 590/4885GRIN2B 3857/4885ALDH1A1 1178/4885

“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.