SCHEMBL16227294

SCHEMBL16227294

C=C(CCCCO[Si](CCC)(CCC)[Si](C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.33
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 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
SCHEMBL16226749 0.90 THRB (0.37) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL8465648 0.79 TBXAS1 (0.36) TBXAS1
SCHEMBL1217777 0.79 TBXAS1 (0.38) TBXAS1
SCHEMBL14120426 0.78 THRB (0.35) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL5006417 0.77 TBXAS1 (0.41) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL2132778 0.77 THRB (0.34) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL14120856 0.76 TBXAS1 (0.36) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL2133790 0.75 THRB (0.35) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL3899872 0.75 TSHR (0.33) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL14121245 0.74 TBXAS1 (0.39) TBXAS1THRBFNTAFNTBPGGT1B

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-20140336196-A1 PHOSPHORIC ACID SALTS OF SITAGLIPTIN MERCK SHARP & DOHME CORP. (US) 2014-11-13 US claimed
US-20140336196-A1 PHOSPHORIC ACID SALTS OF SITAGLIPTIN MERCK SHARP & DOHME CORP. (US) 2014-11-13 US disclosed
US-20140335154-A1 METHODS AND FORMULATIONS TO ACHIEVE TUMOR TARGETED DOUBLE STRANDED RNA MEDIATED CELL DEATH MULTICELL IMMUNOTHERAPEUTICS, INC. (US) 2014-11-13 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-20140336196-A1 PHOSPHORIC ACID SALTS OF SITAGLIPTIN DPP4, DPP7, DPP3 TBXAS1 1370/4885THRB 1459/4885FNTA 3349/4885

“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.