SCHEMBL2160801

SCHEMBL2160801

C[C@H]1CO[C@@H]2Cn3ccc(=O)c(OCc4ccccc4)c3C(=O)N12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.37
GRM2 Q14416 1/20 0.36
GLRA1 P23415 1/20 0.32
S1PR5 Q9H228 1/20 0.32
NAAA Q02083 1/20 0.31
HTR2C P28335 1/20 0.31
MAPK14 Q16539 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL21780155 1.00 HTT (0.42) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL2298978 0.90 HTT (0.41) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL2161654 0.82 GRM2 (0.36) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL21780072 0.82 GRM2 (0.36) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL12239929 0.82 HTT (0.43) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL24969604 0.81 SLC22A2 (0.39) LMNAGRM2GLRA1S1PR5
SCHEMBL21780077 0.79 ALDH1A1 (0.41) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL24969606 0.79 SLC22A2 (0.41) HTTMEN1ALDH1A1KMT2AHPGD
SCHEMBL21780078 0.78 HTT (0.40) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL12239939 0.78 HTT (0.39) HTTSMN1; SMN2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3617194-B1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2023-11-08 EP disclosed
EP-2376453-B1 INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2019-11-20 EP disclosed
US-9707246-B2 Substituted (3S,11AR)-N-[(2,4-difluorophenyl)methyl]-6-oxy-3-methyl-5,7-dioxo-2,3,5,7,11,11A-hexahydro[1,3]oxazolo[3,2-A]pyrido[1,2-D]pyrazine-8-carboxamides as HIV agents SHIONOGI & CO., LTD. (JP) 2017-07-18 US disclosed
US-9707246-B2 Substituted (3S,11AR)-N-[(2,4-difluorophenyl)methyl]-6-oxy-3-methyl-5,7-dioxo-2,3,5,7,11,11A-hexahydro[1,3]oxazolo[3,2-A]pyrido[1,2-D]pyrazine-8-carboxamides as HIV agents SHIONOGI & CO., LTD. (JP) 2017-07-18 US disclosed
US-9707246-B2 Substituted (3S,11AR)-N-[(2,4-difluorophenyl)methyl]-6-oxy-3-methyl-5,7-dioxo-2,3,5,7,11,11A-hexahydro[1,3]oxazolo[3,2-A]pyrido[1,2-D]pyrazine-8-carboxamides as HIV agents SHIONOGI & CO., LTD. (JP) 2017-07-18 US disclosed
EP-2660239-B1 CHEMICAL COMPOUNDS AS SYNTHETIC INTERMEDIATES VIIV HEALTHCARE CO (US) 2016-11-23 EP disclosed
US-9365587-B2 Synthesis of carbamoylpyridone HIV integrase inhibitors and intermediates SHIONOGI & CO., LTD. (JP) 2016-06-14 US disclosed
US-20160060274-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES VIIV HEALTHCARE COMPANY (US) 2016-03-03 US disclosed
US-9242986-B2 Synthesis of carbamoylpyridone HIV integrase inhibitors and intermediates SHIONOGI & CO., LTD. (JP) 2016-01-26 US disclosed
EP-2320909-B1 CHEMICAL COMPOUNDS VIIV HEALTHCARE CO (US) 2016-01-06 EP disclosed
US-20140031555-A1 CHEMICAL COMPOUNDS SHIONOGI & CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031555-A1 CHEMICAL COMPOUNDS SHIONOGI & CO., LTD. (JP) 2014-01-30 US disclosed
US-8624023-B2 Synthesis of carbamoylpyridone HIV integrase inhibitors and intermediates SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-8580967-B2 Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate and processes for the preparation thereof SHIONOGI & CO., LTD. (JP) 2013-11-12 US disclosed
US-8580967-B2 Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate and processes for the preparation thereof SHIONOGI & CO., LTD. (JP) 2013-11-12 US disclosed
EP-2660239-A1 Chemical compounds as synthetic intermediates VIIV Healthcare Company (US) 2013-11-06 EP disclosed
US-8552187-B2 Processes and intermediates for carbamoylpyridone HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2013-10-08 US disclosed
US-20110263855-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2011-10-27 US disclosed
US-20110183940-A1 CHEMICAL COMPOUNDS VIIV HEALTHCARE COMPANY 2011-07-28 US disclosed
US-20110183940-A1 CHEMICAL COMPOUNDS VIIV HEALTHCARE COMPANY 2011-07-28 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 (4 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-20110263855-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS INTS6, IDH1, OPRM1 HTT 3454/4885SMN1; SMN2 4105/4885MEN1 3483/4885
US-20110183940-A1 CHEMICAL COMPOUNDS PAICS, APRT, SAMHD1 HTT 3836/4885SMN1; SMN2 4798/4885MEN1 4686/4885
US-20160060274-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES IL2, QPCT, IL4I1 HTT 4316/4885SMN1; SMN2 4799/4885MEN1 4203/4885
US-20140031555-A1 CHEMICAL COMPOUNDS PAICS, APRT, SAMHD1 HTT 3836/4885SMN1; SMN2 4798/4885MEN1 4686/4885

“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.