SCHEMBL2173094

SCHEMBL2173094

CCC(C)=NOC(=O)C(=O)ON=C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAOB P27338 2/20 0.35
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL10029807 1.00 ALDH1A1 (0.38) ALDH1A1TDP1MAOBLMNAHSD17B10
SCHEMBL12748299 0.93 FAAH (0.34) ALDH1A1TDP1MAOB
SCHEMBL27895766 0.90 MAOB (0.36) ALDH1A1TDP1MAOBFFAR3
SCHEMBL213399 0.84
SCHEMBL16768163 0.84
SCHEMBL213400 0.84
SCHEMBL5593674 0.82
SCHEMBL31686857 0.82 ALDH1A1 (0.36) ALDH1A1TDP1MAOBLMNAHSD17B10
SCHEMBL22892712 0.82
SCHEMBL16433945 0.82

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-2519560-B1 COPOLYMERS WITH PERFLUOROPOLYETHER SEGMENT AND MULTIPLE AMINOOXALYLAMINO GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2017-06-28 EP disclosed
US-9279035-B2 Copolymers with perfluoropolyether segment and multiple aminooxalylamino groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-08 US disclosed
EP-2519559-B1 PERFLUOROPOLYETHER-CONTAINING COMPOUNDS WITH OXALYLAMINO GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2015-07-15 EP disclosed
US-20150057428-A1 COPOLYMERS WITH PERFLUOROPOLYETHER SEGMENT AND MULTIPLE AMINOOXALYLAMINO GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2015-02-26 US disclosed
US-8907120-B2 Perfluoropolyether-containing compounds with oxalylamino groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-12-09 US disclosed
US-8907046-B2 Copolymers with perfluoropolyether segment and multiple aminooxalylamino groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-12-09 US disclosed
EP-2519564-B1 COPOLYMERS WITH PERFLUORPOLYETHER SEGMENT AND POLYDIORGANOSILOXANE SEGMENT 3M INNOVATIVE PROPERTIES CO (US) 2014-10-22 EP disclosed
CN-102712750-B Perfluoropolyether-containing compounds with oxalylamino groups 3M INNOVATIVE PROPERTIES CO 2014-06-25 CN disclosed
US-8552124-B2 Copolymers with perfluoropolyether segment and polydiorganosiloxane segment 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-08 US disclosed
US-20120289736-A1 PERFLUOROPOLYETHER-CONTAINING COMPOUNDS WITH OXALYLAMINO GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-11-15 US disclosed
EP-2519560-A1 COPOLYMERS WITH PERFLUOROPOLYETHER SEGMENT AND MULTIPLE AMINOOXALYLAMINO GROUPS 3M Innovative Properties Company (US) 2012-11-07 EP disclosed
EP-2519559-A2 PERFLUOROPOLYETHER-CONTAINING COMPOUNDS WITH OXALYLAMINO GROUPS 3M Innovative Properties Company (US) 2012-11-07 EP disclosed
EP-2519564-A1 COPOLYMERS WITH PERFLUORPOLYETHER SEGMENT AND POLYDIORGANOSILOXANE SEGMENT 3M Innovative Properties Company (US) 2012-11-07 EP disclosed
US-20120264890-A1 COPOLYMERS WITH PERFLUOROPOLYETHER SEGMENT AND POLYDIORGANOSILOXANE SEGMENT 3M INNOVATIVE PROPERTIES COMPANY 2012-10-18 US disclosed
US-20120259088-A1 COPOLYMERS WITH PERFLUOROPOLYETHER SEGMENT AND MULTIPLE AMINOOXALYLAMINO GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2012-10-11 US disclosed
CN-102712750-A Perfluoropolyether-containing compounds with oxalylamino groups 3M INNOVATIVE PROPERTIES CO 2012-10-03 CN disclosed
WO-2011082046-A1 COPOLYMERS WITH PERFLUORPOLYETHER SEGMENT AND MULTIPLE AMINOOXALYLAMINO GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-07 WO disclosed
WO-2011082067-A2 PERFLUOROPOLYETHER-CONTAINING COMPOUNDS WITH OXALYLAMINO GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-07 WO disclosed
WO-2011082063-A1 COPOLYMERS WITH PERFLUORPOLYETHER SEGMENT AND POLYDIORGANOSILOXANE SEGMENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-07 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 (1 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-20120289736-A1 PERFLUOROPOLYETHER-CONTAINING COMPOUNDS WITH OXALYLAMINO GROUPS PFAS, PFKFB2, OTC ALDH1A1 2346/4885TDP1 2378/4885MAOB 1419/4885

“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.