SCHEMBL3103283

SCHEMBL3103283

CC(C)Nc1cccc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
IKBKB O14920 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCG2 Q9UNQ0 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
SCHEMBL27635328 0.87 PDK1 (0.44) PDK1PDK2PDK3PDK4TOP2A
SCHEMBL8359921 0.82 TDP1 (0.50) TDP1ALDH1A1TSHRLMNAALOX12
SCHEMBL20374364 0.81 TDP1 (0.48) TDP1ALDH1A1TSHRLMNAALOX12
SCHEMBL9153345 0.81 TDP1 (0.48) TDP1ALDH1A1TSHRLMNAALOX12
SCHEMBL12369337 0.79 SIGMAR1 (0.48) TDP1ALDH1A1TSHRLMNAALOX12
SCHEMBL13302606 0.79 TDP1 (0.57) TDP1ALDH1A1TSHRLMNAALOX12
SCHEMBL12674309 0.79 NEK2 (0.43) TDP1ALDH1A1TSHRL3MBTL1HSD17B10
SCHEMBL12871183 0.79 NR1H4 (0.52) TDP1ALDH1A1ENPP2
SCHEMBL15981420 0.79 TDP1 (0.42) TDP1ALDH1A1TSHRLMNAALOX12
SCHEMBL9313156 0.79 TDP1 (0.67) TDP1ALDH1A1TSHRLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
US-8563588-B2 Imidazolone derivatives, method for the preparation thereof and biological applications UNIVERSITE DE RENNES 1 (FR) 2013-10-22 US disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20100216855-A1 IMIDAZAOLONE DERIVATIVES,PREPARATION THEREOF AND BIOLOGICAL USE OF SAME UNIVERSITE DE RENNES (FR) 2010-08-26 US disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed
US-7728017-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
WO-2007064797-A2 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-06-07 WO disclosed
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 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-20100216855-A1 IMIDAZAOLONE DERIVATIVES,PREPARATION THEREOF AND BIOLOGICAL USE OF SAME NR0B2, HRH1, HRH2 TDP1 3808/4885PDK1 3026/4885PDK2 1630/4885
US-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 TDP1 1268/4885PDK1 1051/4885PDK2 1130/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 TDP1 1268/4885PDK1 1051/4885PDK2 1130/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 TDP1 1268/4885PDK1 1051/4885PDK2 1130/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 TDP1 4770/4885PDK1 289/4885PDK2 432/4885

“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.