SCHEMBL48439

SCHEMBL48439

CCOC(=O)CCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
SOAT1 P35610 1/20 0.41
PAOX Q6QHF9 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TOP2A P11388 1/20 0.41

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
SCHEMBL10077282 0.92 GAA (0.45) GAAMGAMSIMGAM2CYP1A2
SCHEMBL50331 0.88 CYP1A2 (0.53) GAAMGAMSIMGAM2CYP1A2
SCHEMBL2562528 0.86 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL7088568 0.84 GAA (0.54) GAAMGAMSIMGAM2CYP1A2
SCHEMBL11783978 0.84 KDM4E (0.59) GAACYP1A2KDM4EMAPK1HIF1A
SCHEMBL5813089 0.83 ALDH1A1 (0.44) KDM4EMAPK1HIF1AALDH1A1L3MBTL1
SCHEMBL1425763 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL15201482 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL26009556 0.83 MTNR1A (0.47) GAAKDM4EMAPK1HIF1AALDH1A1
SCHEMBL14902246 0.82 GAA (0.46) GAAMGAMSIMGAM2CYP1A2

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
CN-104530799-B Water-soluble paint used for expelling and killing mosquitoes in tents and preparation method thereof 境洁环保科技(上海)有限公司 2017-05-03 CN claimed
CN-106389147-A Mosquito-preventing jelly and preparation method thereof 台山美环健芦荟制品有限公司 2017-02-15 CN claimed
CN-106035406-A Efficient repellent liquid and preparation method 黄山力神日用品有限公司 2016-10-26 CN claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
EP-0973768-B1 AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-09 EP claimed
EP-0684944-B1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL SA (MC) 2001-07-25 EP claimed
EP-0684944-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL S.A.M. (MC) 1995-12-06 EP claimed
WO-1994019325-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL SOCIETE ANONYME MONEGASQUE (MC) 1994-09-01 WO claimed
US-11534419-B2 N-acetyl beta alanine methods of use THERMOLIFE INTERNATIONAL, LLC (US) 2022-12-27 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 US disclosed
CN-105491982-B Peptides for Enhanced Transdermal Delivery 3M创新有限公司 2019-09-10 CN disclosed
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed
EP-0684944-B1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL SA (MC) 2001-07-25 EP disclosed
US-5792784-A A PSEUDO-DIPEPTIDE PRODUCT WHICH IS HISTAMINE OR METHYL-SUBSTITUTED HISTAMINE COUPLED WITH A AMINO ACID; USED IN THERAPEUTICAL, COSMETOLOGICAL APPLICATIONS AND TREATS VISION DEFECT Babizhayev, Marc (SU) 1998-08-11 US disclosed
EP-0684944-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL S.A.M. (MC) 1995-12-06 EP disclosed
WO-1994019325-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL SOCIETE ANONYME MONEGASQUE (MC) 1994-09-01 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 (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-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 GAA 3065/4885MGAM 4211/4885SI 4695/4885
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors TFPI, TFPI2, KLKB1 GAA 2435/4885MGAM 2446/4885SI 530/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B GAA 3343/4885MGAM 4680/4885SI 4505/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 GAA 3065/4885MGAM 4211/4885SI 4695/4885
US-11534419-B2 N-acetyl beta alanine methods of use AADAT, B3GNT2, AANAT GAA 575/4885MGAM 447/4885SI 745/4885

“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.