SCHEMBL16625391

SCHEMBL16625391

CCOP(=O)(CCN(CCO)CP(=O)(OC(C)C)OC(C)C)OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 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
SCHEMBL16625407 0.82 PPARD (0.41) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL16625359 0.82 PPARD (0.63) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL8113767 0.82 PPARD (0.63) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL530398 0.81 CYP2C9 (0.56) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL19245711 0.79 PPARD (0.59) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL16625363 0.78 PPARD (0.57) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL19979584 0.77 CYP2C9 (0.56) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL14790946 0.76 MEN1 (0.51) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL11577479 0.76 PPARD (0.59) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL11576047 0.74 PPARD (0.31) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200020-B2 6-oxopurine phosphoribosyltransferase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-09 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-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS HPRT1, APRT, TPMT PPARD 3578/4885MEN1 4009/4885GAA 610/4885

“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.