SCHEMBL422850

SCHEMBL422850

CC(C)OC(=O)NCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRR1 P24046 2/20 0.37
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
PAOX Q6QHF9 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13526011 0.88 ALOX15 (0.46) ALOX15SMN1; SMN2HTTLMNACYP2C9
SCHEMBL22039175 0.86 PAOX (0.52) ALOX15SMN1; SMN2HTTLMNACYP2C9
SCHEMBL19576056 0.82 ALOX15 (0.39) ALOX15SMN1; SMN2HTTLMNACYP2C9
SCHEMBL8741722 0.80 GABRR1 (0.32) GABRR1
SCHEMBL606535 0.80 CHRNB2 (0.49) ALOX15SMN1; SMN2HTTLMNACYP2C9
SCHEMBL606534 0.80 ALOX15 (0.42) ALOX15SMN1; SMN2HTTLMNACYP2C9
SCHEMBL104010 0.80 ALOX15 (0.50) ALOX15SMN1; SMN2HTTLMNACYP2C9
SCHEMBL7771525 0.79 ALOX15 (0.40) ALOX15SMN1; SMN2HTTLMNACYP2C9
Hydrochloric Acid SCHEMBL6837622 0.79 GABRR1 (0.31) MEN1KMT2AGABRR1
SCHEMBL13675275 0.79 ALOX15 (0.40) ALOX15SMN1; SMN2HTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109235-A1 METHOD OF PRODUCING PYRIDONE DERIVATIVES Shionogi & Co., Ltd (JP) 2016-12-28 EP disclosed
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
EP-2412709-B1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO (JP) 2016-05-18 EP disclosed
US-9260453-B2 Method for producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-02-16 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 US disclosed
US-8575144-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2013-11-05 US disclosed
US-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY (US) 2013-03-28 US disclosed
US-8299051-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2012-10-30 US disclosed
EP-2412709-A1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES Shionogi & Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY 2010-01-14 US disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 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 (5 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-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALOX15 779/4885SMN1; SMN2 4560/4885HTT 2997/4885
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALOX15 804/4885SMN1; SMN2 4496/4885HTT 3043/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALOX15 804/4885SMN1; SMN2 4496/4885HTT 3043/4885
US-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT ALOX15 1128/4885SMN1; SMN2 3154/4885HTT 4774/4885
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT ALOX15 1128/4885SMN1; SMN2 3154/4885HTT 4774/4885

“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.