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Sugi Predict / Compounds / SCHEMBL2601040

SCHEMBL2601040

SCHEMBL2601040

C=CCn1cc(C(=O)OC)c(=O)c(OCCCC)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PLA2G4A P47712 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL2601039 0.93 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL2601037 0.89 PLA2G4A (0.38) ALDH1A1HPGDKMT2ALMNAPLA2G4A
SCHEMBL13039047 0.88 HSD17B10 (0.42) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL13039046 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL18010785 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL19158138 0.83 PLA2G4A (0.38) ALDH1A1HPGDLMNAPLA2G4ACNR1
SCHEMBL92993 0.83 CNR2 (0.47) HPGDLMNAHSD17B10POLBCNR2
SCHEMBL17928514 0.83 TSHR (0.39) ALDH1A1HPGDLMNAPLA2G4AHSD17B10
SCHEMBL15015205 0.82 BRD4 (0.36) ALDH1A1HPGDLMNAPLA2G4ACNR1
SCHEMBL19334681 0.81 LMNA (0.44) ALDH1A1HPGDKMT2ALMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 — — US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 — — US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 — — US disclosed
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2016-12-22 — — US disclosed
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 — — US disclosed
US-9469638-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2016-10-18 — — US disclosed
EP-2412709-B1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO (JP) 2016-05-18 — — EP disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 — — US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 — — US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 — — US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 — — US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 — — US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 — — US disclosed
EP-2620436-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG Shionogi&Co., Ltd. (JP) 2013-07-31 — — EP disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 — — US disclosed
EP-2444400-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-04-25 — — EP 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
WO-2010147068-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE 塩野義製薬株式会社 (JP) 2010-12-23 — — WO disclosed
WO-2010110409-A1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES 塩野義製薬株式会社 (JP) 2010-09-30 — — 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 (7 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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885HPGD 681/4885KMT2A 1980/4885
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 ALDH1A1 1937/4885HPGD 1768/4885KMT2A 1730/4885
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALDH1A1 2038/4885HPGD 91/4885KMT2A 3600/4885
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALDH1A1 2121/4885HPGD 102/4885KMT2A 3654/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 ALDH1A1 1813/4885HPGD 1534/4885KMT2A 1636/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885HPGD 681/4885KMT2A 1980/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 ALDH1A1 2121/4885HPGD 102/4885KMT2A 3654/4885

“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.