SCHEMBL3439097

SCHEMBL3439097

CCOC(C)(OCC)P(=O)(O)CC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.34
EPHX1 P07099 1/20 0.33
CA12 O43570 4/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CA14 Q9ULX7 2/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL6053123 0.84 KMT2A (0.37) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL6053122 0.83 MEN1 (0.38) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL7820712 0.80 TDP1 (0.42) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL9197708 0.79 TDP1 (0.41) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL8016459 0.78 KMT2A (0.39) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL3439144 0.74 MEN1 (0.35) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL4714065 0.74 TDP1 (0.52) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL13546218 0.73 TDP1 (0.39) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL1696854 0.72 TDP1 (0.47) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL9154472 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1TSHRTDP1

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
JP-3914435-B2 2007-05-16 JP claimed
US-20050137414-A1 New aminopropylphosphinic acids ELEBRING THOMAS (SE) 2005-06-23 US claimed
JP-2003516407-A 2003-05-13 JP claimed
US-20020156053-A1 New aminopropylphosphinic acids GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT 2002-10-24 US claimed
EP-1240172-A1 NEW AMINOPROPYLPHOSPHINIC ACIDS AstraZeneca AB (SE) 2002-09-18 EP claimed
WO-2001042252-A1 NEW AMINOPROPYLPHOSPHINIC ACIDS ASTRAZENECA AB (SE) 2001-06-14 WO claimed
US-7807658-B2 Use of GabaB receptor agonists ASTRAZENECA AB (SE) 2010-10-05 US disclosed
US-20080146836-A1 New Aminopropylphosphinic acids ELEBRING THOMAS 2008-06-19 US disclosed
US-20070021393-A1 New use of GabaB receptor agonists LEHMANN ANDERS 2007-01-25 US disclosed
US-7034176-B2 Aminopropylphosphinic acids ASTRAZENECA AB (SE) 2006-04-25 US disclosed
US-20050137414-A1 New aminopropylphosphinic acids ELEBRING THOMAS (SE) 2005-06-23 US disclosed
US-6841698-B2 GABAB Receptor Agonists; used to treat gastrointestinal disorders, especially GERD ASTRAZENECA AB (SE) 2005-01-11 US disclosed
EP-1484333-A1 New aminopropylphosphonous acids AstraZeneca AB (SE) 2004-12-08 EP disclosed
EP-1240172-B1 NEW AMINOPROPYLPHOSPHINIC ACIDS ASTRAZENECA AB (SE) 2004-11-10 EP disclosed
US-20030220303-A1 New aminopropylphosphinic acids ELEBRING THOMAS (SE) 2003-11-27 US disclosed
US-6576626-B2 Treating gastro-oesophageal reflux disease ASTRAZENECA AB (SE) 2003-06-10 US disclosed
US-20020156053-A1 New aminopropylphosphinic acids GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT 2002-10-24 US 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-20030220303-A1 New aminopropylphosphinic acids GABRP, GABRB1, GABRA1 KMT2A 3339/4885MEN1 3676/4885ALDH1A1 1394/4885
US-20080146836-A1 New Aminopropylphosphinic acids GABRP, GABRA1, GABRA5 KMT2A 3083/4885MEN1 3186/4885ALDH1A1 1489/4885
US-20020156053-A1 New aminopropylphosphinic acids GABRP, GABRB1, GABRA1 KMT2A 3339/4885MEN1 3676/4885ALDH1A1 1394/4885
US-20070021393-A1 New use of GabaB receptor agonists GABRA1, GABRA3, GABRB1 KMT2A 3037/4885MEN1 3539/4885ALDH1A1 1186/4885
US-20050137414-A1 New aminopropylphosphinic acids GABRP, GABRA1, GABRA5 KMT2A 3083/4885MEN1 3186/4885ALDH1A1 1489/4885

“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.