SCHEMBL2960728

SCHEMBL2960728

C=CCCC(CCCCCCCCCC)P(=O)(Cl)OCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PLA2G2C Q5R387 1/20 0.36
SMPD1 P17405 3/20 0.35
FDPS P14324 4/20 0.34
LPAR3 Q9UBY5 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LAP3 P28838 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN1 P18031 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL2963056 0.85 TSHR (0.41) TSHRPLA2G2CSMPD1FDPSLPAR3
SCHEMBL13239576 0.77 TSHR (0.34) TSHRPLA2G2CSMPD1FDPSLPAR3
SCHEMBL13239577 0.72 FDPS (0.46) TSHRSMPD1FDPSLPAR3LAP3
SCHEMBL2963060 0.70 SMPD1 (0.42) TSHRPLA2G2CSMPD1FDPSLAP3
SCHEMBL28956446 0.69 TSHR (0.73) TSHRLPAR3ALDH1A1LPAR2
Diethyl Hydrogen Phosphate SCHEMBL28293408 0.68 TSHR (0.57) TSHRLPAR3ALDH1A1LPAR2
SCHEMBL10840339 0.67 FDPS (0.61) SMPD1FDPSLPAR3LAP3LPAR2
SCHEMBL15302820 0.67 SMPD1 (0.43) SMPD1FDPSLPAR3LAP3PTPN1
SCHEMBL18622176 0.67 FDPS (0.42) TSHRSMPD1FDPSLPAR3LAP3
SCHEMBL31556154 0.66 FDPS (0.59) SMPD1FDPSLPAR3LAP3LPAR2

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
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-20060280719-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2006-12-14 US disclosed
US-7109184-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-09-19 US disclosed
EP-1485391-B1 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORP (US) 2006-08-23 EP disclosed
EP-1485391-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-12-15 EP disclosed
US-20040019020-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003080630-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-10-02 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 (2 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-20060280719-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC43A1 TSHR 76/4885PLA2G2C 3078/4885SMPD1 4350/4885
US-20040019020-A1 Phosphate transport inhibitors SLC34A2, SLC43A1, SLC34A1 TSHR 194/4885PLA2G2C 3216/4885SMPD1 4199/4885

“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.