Sugi Predict

Sugi Predict / Compounds / SCHEMBL2293885

SCHEMBL2293885

SCHEMBL2293885

CCCN(C)C(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ACACB O00763 2/20 0.34
▸ TSHR P16473 3/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ PREP P48147 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ NFKB1 P19838 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL7942433 0.87 KDM4E (0.36) MLYCDDPP4PREPFAPHPGD
SCHEMBL25129542 0.87 KDM5A (0.35) MLYCDCA12CA2CA9TSHR
SCHEMBL4142378 0.86 CA1 (0.40) MLYCDCA12CA9TSHRALDH1A1
SCHEMBL17399113 0.84 EPHX2 (0.41) ALDH1A1
SCHEMBL4106084 0.83 CA12 (0.34) CA12CA2CA9ACACBTSHR
SCHEMBL25831612 0.82 DNM1 (0.44) CA2MAPK1
SCHEMBL22848579 0.82 DNM1 (0.44) CA2MAPK1
SCHEMBL14553237 0.81 HPGD (0.34) CA12CA2CA9ACACBTSHR
SCHEMBL27415161 0.81 CA12 (0.33) CA12CA2CA9ACACBTSHR
SCHEMBL4546666 0.80 CHRNB2 (0.44) MLYCDACACBDPP4PREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529688-A — — 2011-12-15 — — JP claimed
WO-2010014813-A2 COMPOSITIONS COMRPISING SWEETNESS ENHANCERS AND METHODS OF MAKING THEM SENOMYX, INC. (US) 2010-02-04 — — WO claimed
WO-2024101189-A1 NONAQUEOUS INK COMPOSITION, RECORDING METHOD, METHOD FOR PRODUCING RECORDED MATERIAL, INK SET, RECORDED MATERIAL, AND INKJET RECORDING APPARATUS 株式会社ＤＮＰファインケミカル 2024-05-16 — — WO disclosed
EP-4364952-A1 PRETREATMENT INK AND INK SET CONTAINING SAME DNP Fine Chemicals Co., Ltd. (JP) 2024-05-08 — — EP disclosed
EP-4365248-A1 WATER-BASED INK AND INK SET INCLUDING SAME DNP Fine Chemicals Co., Ltd. (JP) 2024-05-08 — — EP disclosed
EP-4364951-A1 OVERCOAT INK AND INK SET CONTAINING SAME DNP Fine Chemicals Co., Ltd. (JP) 2024-05-08 — — EP disclosed
US-20240117210-A1 INK SET DNP FINE CHEMICALS CO., LTD. (JP) 2024-04-11 — — US disclosed
EP-4303005-A1 INK SET DNP Fine Chemicals Co., Ltd. (JP) 2024-01-10 — — EP disclosed
US-11834433-B2 Compounds INFLAZOME LIMITED (IE) 2023-12-05 — — US disclosed
US-20230365754-A1 CROSS-LINKABLE ALLYLAMIDO POLYMERS UNIVERSITEIT GENT (BE) 2023-11-16 — — US disclosed
US-20230359123-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 — — US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 — — US disclosed
US-8609173-B2 Compositions comprising sweetness enhancers and methods of making them SENOMYX INC. (US) 2013-12-17 — — US disclosed
US-20110195170-A1 COMPOSITIONS COMPRISING SWEETNESS ENHANCERS AND METHODS OF MAKING THEM SENOMYX INC. 2011-08-11 — — US disclosed
WO-2010014813-A2 COMPOSITIONS COMRPISING SWEETNESS ENHANCERS AND METHODS OF MAKING THEM SENOMYX, INC. (US) 2010-02-04 — — WO disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof NUFARM AUSTRALIA LIMITED (AU) 2009-10-01 — — US disclosed
EP-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 — — EP disclosed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 — — WO disclosed
US-20050064004-A1 Surfactant/solvent mixtures BAYER CROPSCIENCE GMBH (DE) 2005-03-24 — — 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR MLYCD 4057/4885CA12 3503/4885CA2 1189/4885
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK MLYCD 3796/4885CA12 4832/4885CA2 4532/4885
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof PYM1, GRM4, GPR4 MLYCD 531/4885CA12 2144/4885CA2 801/4885
US-11834433-B2 Compounds NLRP3, NOD1, PYCARD MLYCD 1396/4885CA12 3721/4885CA2 942/4885
US-20050064004-A1 Surfactant/solvent mixtures C1R, C1S, HRH4 MLYCD 3807/4885CA12 3178/4885CA2 2057/4885

“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.