SCHEMBL804144

SCHEMBL804144

CC(C)(CC(=O)O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HMGCR P04035 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR3 O14843 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
BHMT Q93088 3/20 0.32

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
Sulfuric Acid SCHEMBL28008017 0.87 KDM4E (0.43) KDM4EHMGCRCHRM1TBXA2RADRA1A
Hydrochloric Acid SCHEMBL3350621 0.83 KDM4E (0.38) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL22662448 0.80 KDM4E (0.52) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL960674 0.80 KDM4E (0.40) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL6534968 0.78 CYP2C19 (0.62) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL9842065 0.78 LMNA (0.37) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL3465587 0.78 LMNA (0.37) KDM4EHMGCRCHRM1TBXA2RADRA1A
Hydrochloric Acid SCHEMBL4137653 0.77 TSHR (0.60) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL83915 0.77 TSHR (0.60) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5069470 0.76 KDM4E (0.31) KDM4EHMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102409373-B Cyanide-free silver electroplating solutions ROHM AND HAAS COMPANY ELECT MATERIALS 2015-05-20 CN claimed
CN-102409372-B Method of electroplating silver strike over nickel ROHM & HAAS ELECT MAT 2015-02-11 CN claimed
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN disclosed
CN-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN disclosed
CN-111615408-A Method for pneumatically conveying superabsorbent particles 巴斯夫欧洲公司 2020-09-01 CN disclosed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
CN-109996778-A Taste adjusts aldehyde 高砂香料工业株式会社 2019-07-09 CN disclosed
CN-109803948-A Warming sensation compound 高砂香料工业株式会社 2019-05-24 CN disclosed
EP-3353178-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
CN-104860874-B Bicyclic or tricyclic steric hindrance alkoxyamine and preparation method thereof 巴斯夫欧洲公司 2018-04-17 CN disclosed
CN-104884538-B Pigment dispersing agent, the manufacture method of pigment dispersing agent and dispersible pigment dispersion 大日精化工业株式会社 2017-12-15 CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
EP-1509537-B9 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-11-14 EP disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1509537-B1 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-07-18 EP disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-5198452-A Leukotriene antagonist, lipoxygenase or cyclooxygenase inhibitors, antihistamines or antiallergens YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-03-30 US disclosed
EP-0466125-A2 Styryl compounds and their pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-15 EP 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 (1 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 KDM4E 3256/4885HMGCR 1715/4885CHRM1 4875/4885

“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.