SCHEMBL1367273

SCHEMBL1367273

CCC(F)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
VDR P11473 1/20 0.39
TLR9 Q9NR96 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL17350540 0.86 CA12 (0.47) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL2143224 0.83 CA12 (0.42) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL14779262 0.83 GAA (0.46) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8345094 0.81 GAA (0.45) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL890842 0.81 GAA (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL32665755 0.81 AGER (0.40) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL10430735 0.81 MCHR1 (0.44) AGERALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8402277 0.81 MCHR1 (0.44) AGERALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8402280 0.81 MCHR1 (0.44) AGERALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL872063 0.81 AGER (0.48) AGERGAAALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884034-A Process for the manufacture of adalimudine via hydrogenation of an imine H.隆德贝克有限公司 2018-11-23 CN disclosed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
EP-2349351-A2 IMAGING AND RADIOTHERAPY METHODS GE Healthcare Limited (GB) 2011-08-03 EP disclosed
US-20100292478-A1 PROCESS OF PREPARING A RADIOACTIVE COMPOUND CONTAINING A FLUORINE-18 ISOTOPE GACHON UNIVERSITY OF MEDICINE & SCIENCE INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2010-11-18 US disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 WO disclosed
US-20080279769-A1 Enzyme Inhibitor Imaging Agents SOLBAKKEN MAGNE 2008-11-13 US disclosed
EP-1682113-B1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LTD (GB) 2008-01-23 EP disclosed
EP-1853324-A1 CASPASE-3 SUBSTRATE COMPRISING IMAGING AGENTS GE Healthcare Limited (GB) 2007-11-14 EP disclosed
EP-1763371-A2 NOVEL IMAGING AGENTS COMPRISING CASPASE-3 INHIBITORS GE Healthcare Limited (GB) 2007-03-21 EP disclosed
US-20070036258-A1 Process for producing radioactive fluorine compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-02-15 US disclosed
WO-2006082434-A1 CASPASE-3 SUBSTRATE COMPRISING IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2006-08-10 WO disclosed
EP-1682113-A1 INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2006-07-26 EP disclosed
US-20060120956-A1 Imaging agents comprising barbituric acid derivatives KOPKA KLAUS 2006-06-08 US disclosed
WO-2006032911-A2 METALLOPROTEINASE INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2006-03-30 WO disclosed
EP-1549317-A1 IMPROVED IMAGING AGENTS COMPRISING BARBITURIC ACID DERIVATIVES GE Healthcare Limited (GB) 2005-07-06 EP disclosed
WO-2005053752-A2 NOVEL IMAGING AGENTS COMPRISING CASPASE-3 INHIBITORS GE HEALTHCARE LIMITED (GB) 2005-06-16 WO disclosed
WO-2005049005-A1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2005-06-02 WO disclosed
WO-2004032936-A1 IMPROVED IMAGING AGENTS COMPRISING BARBITURIC ACID DERIVATIVES AMERSHAM PLC (GB) 2004-04-22 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 (6 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-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 AGER 935/4885GAA 133/4885ALDH1A1 3/4885
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 AGER 935/4885GAA 133/4885ALDH1A1 3/4885
US-20100292478-A1 PROCESS OF PREPARING A RADIOACTIVE COMPOUND CONTAINING A FLUORINE-18 ISOTOPE UHRF1, FTO, AGO2 AGER 1107/4885GAA 2180/4885ALDH1A1 330/4885
US-20060120956-A1 Imaging agents comprising barbituric acid derivatives CA5A, GABRA5, CA5B AGER 77/4885GAA 2029/4885ALDH1A1 1222/4885
US-20080279769-A1 Enzyme Inhibitor Imaging Agents MMP3, MMP1, MMP10 AGER 1599/4885GAA 140/4885ALDH1A1 536/4885
US-20070036258-A1 Process for producing radioactive fluorine compound AFF1, AFF4, RER1 AGER 2179/4885GAA 1109/4885ALDH1A1 3058/4885

“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.