SCHEMBL2865175

SCHEMBL2865175

CCc1ccc(Cc2cc(CP(=O)(O)O)ccc2OCCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC5A1 P13866 3/20 0.36
SLC5A2 P31639 3/20 0.36
AKT1 P31749 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
S1PR2 O95136 7/20 0.36
S1PR1 P21453 7/20 0.36
S1PR3 Q99500 7/20 0.36
LPAR2 Q9HBW0 7/20 0.36
ESR1 P03372 1/20 0.36
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.35
ENPP2 Q13822 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL2871014 0.91 TLR7 (0.41) TLR7AKT1THRATHRBS1PR2
SCHEMBL2872112 0.89 ESR1 (0.42) TLR7SLC5A1SLC5A2S1PR2S1PR1
SCHEMBL2860898 0.88 TLR7 (0.40) TLR7SLC5A1SLC5A2AKT1THRA
SCHEMBL28765324 0.84 TLR7 (0.50) TLR7SLC5A1SLC5A2AKT1S1PR2
SCHEMBL2868556 0.82 ALPG (0.44) SMN1; SMN2
SCHEMBL2871063 0.81 TLR7 (0.39) TLR7AKT1THRATHRBCYP2C19
SCHEMBL2869183 0.76 THRA (0.47) THRATHRBCYP2C19SMN1; SMN2SRC
SCHEMBL2864769 0.75 SLC5A2 (0.45) SLC5A1SLC5A2CYP2C19SMN1; SMN2SRC
SCHEMBL2864893 0.73 SLC5A1 (0.46) TLR7SLC5A1SLC5A2S1PR2S1PR1
SCHEMBL2864690 0.73 CA2 (0.45) TLR7SLC5A1SLC5A2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R TLR7 2560/4885SLC6A9 3697/4885SLC5A1 1236/4885

“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.