SCHEMBL3380036

SCHEMBL3380036

CC(CO)c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.47
HTT P42858 1/20 0.45
BCAT2 O15382 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
METAP2 P50579 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
PARP1 P09874 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38

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
Acetic Acid SCHEMBL8193458 0.95 BCAT2 (0.44) IRAK4HTTBCAT2TSHRALDH1A1
Sulfamate SCHEMBL8190960 0.92 TSHR (0.42) IRAK4HTTBCAT2TSHRALDH1A1
SCHEMBL8526511 0.85 TSHR (0.55) IRAK4HTTBCAT2TSHRALDH1A1
SCHEMBL1380696 0.85 TSHR (0.55) IRAK4HTTBCAT2TSHRALDH1A1
SCHEMBL6858554 0.85 TSHR (0.44) TSHRALDH1A1MAPTACE2MEN1
SCHEMBL3974925 0.84 IRAK4 (0.46) IRAK4HTTBCAT2TSHRALDH1A1
SCHEMBL2848767 0.84 HTT (0.47) IRAK4HTTBCAT2TSHRALDH1A1
SCHEMBL5230221 0.83 ACE2 (0.50) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL20555850 0.83 ACE2 (0.50) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL9040914 0.83 ALDH1A1 (0.43) IRAK4TSHRALDH1A1MAPTKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
CN-1956946-B Modulators of cannabinoid receptors UCL BUSINESS PLC 2013-07-10 CN disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
CN-1956946-A Modulators of cannabinoid receptors UNIV LONDON (GB) 2007-05-02 CN disclosed
EP-0801642-B1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LTD (KR) 2000-12-20 EP disclosed
US-5892088-A Sulfamate compound containing N-substituted carbamoyl group and method for preparing the same YUKONG LIMITED (KR) 1999-04-06 US disclosed
EP-0801642-A1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-10-22 EP disclosed
WO-1997016418-A1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-05-09 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 IRAK4 2907/4885HTT 2305/4885BCAT2 3090/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 IRAK4 2942/4885HTT 2035/4885BCAT2 2124/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 IRAK4 2907/4885HTT 2305/4885BCAT2 3090/4885

“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.