SCHEMBL16181517

SCHEMBL16181517

CCOC(=O)c1cn(CC=O)c(C(=O)OCC)c(Br)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
STAT3 P40763 1/20 0.38
POLB P06746 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 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
SCHEMBL10188389 0.87 LMNA (0.50) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL16181523 0.84 KMT2A (0.45) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL15143799 0.81 LMNA (0.46) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL16181520 0.79 KMT2A (0.41) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL28346320 0.79 BAZ2B (0.51) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL10188405 0.78 ALDH1A1 (0.47) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL18854210 0.76 TSHR (0.45) LMNAKMT2AKDM4EALDH1A1TDP1
SCHEMBL21776521 0.76 LMNA (0.43) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL10188377 0.75 KMT2A (0.44) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL28343501 0.75 KDM4E (0.42) LMNAKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456721-B1 METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY SHIONOGI & CO (JP) 2021-02-24 EP disclosed
EP-3456721-A2 METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY Shionogi & Co., Ltd (JP) 2019-03-20 EP disclosed
US-9802959-B2 Method of producing (4R,12aS)-7,9-dihalo-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-6,8-diones SHIONOGI & CO., LTD. (JP) 2017-10-31 US disclosed
US-20170240564-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-24 US disclosed
US-9650394-B2 Methods of producing substituted (3S,11aR)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-Hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamides SHIONOGI & CO., LTD. (JP) 2017-05-16 US disclosed
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
EP-2602260-B1 PROCESS FOR PREPARING COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-09-28 EP disclosed
US-20160229870-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2016-08-11 US disclosed
WO-2016113372-A1 PROCESSES FOR PREPARING DOLUTEGRAVIR AND CABOTEGRAVIR AND ANALOGUES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2016-07-21 WO disclosed
US-9321789-B2 Methods of producing substituted (4R,12AS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-B][1,3]oxazine-9-carboxamides SHINOGI & CO., LTD. (JP) 2016-04-26 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150038702-A1 Method of producing compounds having HIV integrase inhivitory activity SHINOGI & CO., LTD. (JP) 2015-02-05 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-20140011995-A1 Process for Preparing Compound Having HIV Integrase Inhibitory Activity SHINOGI & CO., LTD (JP) 2014-01-09 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 (6 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-20150038702-A1 Method of producing compounds having HIV integrase inhivitory activity XDH, IMPDH1, IMPA1 LMNA 1129/4885KMT2A 1655/4885KDM4E 687/4885
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 LMNA 472/4885KMT2A 3600/4885KDM4E 1250/4885
US-20170240564-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 LMNA 2283/4885KMT2A 1061/4885KDM4E 140/4885
US-20160229870-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, VRK2, PYM1 LMNA 1681/4885KMT2A 1422/4885KDM4E 212/4885
US-20140011995-A1 Process for Preparing Compound Having HIV Integrase Inhibitory Activity DRD4, XDH, CCND2 LMNA 2143/4885KMT2A 1048/4885KDM4E 127/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 LMNA 472/4885KMT2A 3654/4885KDM4E 1269/4885

“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.