SCHEMBL3469956

SCHEMBL3469956

CC(=O)CCCP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.55
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48
BBOX1 O75936 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.42
PAOX Q6QHF9 1/20 0.42

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
SCHEMBL15305182 0.92 TYMS (0.52) TYMSLPAR3LPAR2BBOX1LMNA
SCHEMBL28638141 0.88 LPAR3 (0.54) TYMSLPAR3LPAR2BBOX1LMNA
SCHEMBL3469239 0.83
SCHEMBL10308493 0.79 ALDH1A1 (0.45) LMNAALDH1A1TDP1ACHEPAOX
SCHEMBL2454398 0.77 TYMS (0.52) TYMSLPAR3LPAR2BBOX1LMNA
SCHEMBL307497 0.76 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL22701925 0.76 TYMS (0.58) TYMSLPAR3LPAR2BBOX1LMNA
SCHEMBL28244619 0.75 LPAR3 (0.50) TYMSLPAR3LPAR2BBOX1LMNA
SCHEMBL241352 0.75 TYMS (0.65) TYMSLPAR3LPAR2BBOX1LMNA
SCHEMBL11196604 0.74 TYMS (0.55) TYMSLPAR3LPAR2LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2022-12-29 US disclosed
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
WO-2022104383-A1 PHARMACOLOGICAL AGENTS FOR TREATING CONDITIONS OF THE EYE PLEX PHARMACEUTICALS, INC. (US) 2022-05-19 WO disclosed
CN-106793970-B Nanoparring agents for diagnosis and therapy and processing thereof 罗得岛医院 2021-07-30 CN disclosed
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 US disclosed
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 US disclosed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
EP-2237358-B1 Nonaqueous electrolyte battery MITSUBISHI CHEM CORP (JP) 2015-08-12 EP disclosed
US-20130252813-A1 Herbicidal Compositions for Tolerant or Resistant Sugar Beet Crops BAYER CROPSCIENCE AG (DE) 2013-09-26 US disclosed
US-20120156557-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-06-21 US disclosed
EP-2237358-A1 Nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2010-10-06 EP disclosed
EP-2128923-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2009-12-02 EP 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-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO TYMS 75/4885LPAR3 2976/4885LPAR2 4443/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT TYMS 1110/4885LPAR3 3673/4885LPAR2 3868/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT TYMS 1110/4885LPAR3 3673/4885LPAR2 3868/4885
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 TYMS 1047/4885LPAR3 2777/4885LPAR2 3227/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT TYMS 1110/4885LPAR3 3673/4885LPAR2 3868/4885
US-20130252813-A1 Herbicidal Compositions for Tolerant or Resistant Sugar Beet Crops GSS, GLB1, B3GAT3 TYMS 614/4885LPAR3 1952/4885LPAR2 3808/4885

“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.