SCHEMBL2870478

SCHEMBL2870478

CC(C)(C)OCOP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.37
LPAR2 Q9HBW0 5/20 0.37
LPAR1 Q92633 4/20 0.37
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
MPI P34949 1/20 0.34
TPI1 P60174 2/20 0.33
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
FBP1 P09467 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
FDPS P14324 2/20 0.31
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PGD P52209 1/20 0.30

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
SCHEMBL17243705 0.83 SAT1 (0.33) MAPK1LMNA
SCHEMBL9943506 0.79 PLA2G2A (0.31)
SCHEMBL2513481 0.78 LPAR3 (0.45) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL533763 0.74 FDPS (0.44) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL16072566 0.73 TSHR (0.31)
SCHEMBL28770806 0.72 TPI1 (0.42) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL29216424 0.72 TPI1 (0.42) LPAR3LPAR2LPAR1PGK1PGK2
Water SCHEMBL27700129 0.72 TPI1 (0.42) LPAR3LPAR2LPAR1PGK1PGK2
Phosphoric Acid SCHEMBL28705667 0.72 TPI1 (0.42) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL28107423 0.72 TPI1 (0.42) LPAR3LPAR2LPAR1PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964843-B1 PROCESS FOR PRODUCTION OF WATER-SOLUBLE AZOLE PRODRUG EISAI R&D MAN CO LTD (JP) 2013-08-28 EP disclosed
US-7803949-B2 Process for preparation of water-soluble azole prodrugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-28 US disclosed
US-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-20090192316-A1 PROCESS FOR PREPARATION OF WATER-SOLUBLE AZOLE PRODRUGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-30 US disclosed
EP-1964843-A1 PROCESS FOR PRODUCTION OF WATER-SOLUBLE AZOLE PRODRUG Eisai R&D Management Co., Ltd. (JP) 2008-09-03 EP disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 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 (1 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-20090192316-A1 PROCESS FOR PREPARATION OF WATER-SOLUBLE AZOLE PRODRUGS CYP3A5, CYP3A7, SLC19A1 LPAR3 3112/4885LPAR2 3553/4885LPAR1 2874/4885

“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.