SCHEMBL422849

SCHEMBL422849

CC(C)OC(=O)NCC[NH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 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
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 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
SCHEMBL19982874 0.83 MAPK1 (0.44) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL606535 0.80 CHRNB2 (0.49) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL104010 0.80 ALOX15 (0.50) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL606534 0.80 ALOX15 (0.42) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL7771523 0.79 ALOX15 (0.40) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL1467216 0.78 ALOX15 (0.41) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL6615472 0.78 ALOX15 (0.41) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL12787082 0.78 ANPEP (0.43) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL422850 0.78 ALOX15 (0.41) ALOX15SMN1; SMN2LMNAHTTTSHR
SCHEMBL178675 0.78 SMN1; SMN2 (0.44) ALOX15SMN1; SMN2LMNAHTTTSHR

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 9 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 4560/4885LMNA 472/4885
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALOX15 804/4885SMN1; SMN2 4496/4885LMNA 472/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALOX15 804/4885SMN1; SMN2 4496/4885LMNA 472/4885

“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.