SCHEMBL14189792

SCHEMBL14189792

CC(C)OP(=O)(OCCC#N)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL21702799 0.81 CTSA (0.31) CTSAACHE
SCHEMBL26316292 0.81 HMGCR (0.36) CTSAACHE
SCHEMBL733409 0.80 ALDH1A1 (0.43) TSHRCYP3A4
SCHEMBL18776479 0.80 HMGCR (0.43) CTSAACHECYP3A4
SCHEMBL3902813 0.79 CTSA (0.41) CTSAACHE
SCHEMBL11907935 0.77 CYP3A4 (0.34) TSHRCYP3A4
SCHEMBL25192455 0.76
SCHEMBL17943797 0.75 CYP3A4 (0.48) ACHETSHRCYP3A4
SCHEMBL15977306 0.75 TSHR (0.56) ACHETSHRCYP3A4
SCHEMBL7006853 0.75 TSHR (0.56) ACHETSHRCYP3A4

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-20150315227-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2015-11-05 US disclosed
US-7368550-B2 Of given structure; deprotecting using solution containing nucleophile, hydrogen peroxide and performic acid; does not require strong bases AGILENT TECHNOLOGIES, INC. (US) 2008-05-06 US disclosed
US-20070099859-A1 Phosphorus protecting groups AGILENT TECHNOLOGIES, INC. 2007-05-03 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 (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-20150315227-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 CTSA 670/4885ACHE 2591/4885TSHR 3949/4885
US-20070099859-A1 Phosphorus protecting groups ALPP, PSPH, PNKP CTSA 247/4885ACHE 658/4885TSHR 4167/4885

“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.