SCHEMBL16625357

SCHEMBL16625357

CCOP(=O)(CCN(CCO)CCCC#N)OCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.46
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HPRT1 P00492 2/20 0.33
ACHE P22303 1/20 0.33
LCK P06239 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19245610 0.96 PPARD (0.45) PPARDTSHRMEN1GAACYP2C9
SCHEMBL16625358 0.91 PPARD (0.49) PPARDTSHRMEN1GAACYP2C9
SCHEMBL11577479 0.85 PPARD (0.59) PPARDTSHRMEN1GAACYP2C9
SCHEMBL16625359 0.84 PPARD (0.63) PPARDTSHRMEN1GAACYP2C9
SCHEMBL8113767 0.84 PPARD (0.63) PPARDTSHRMEN1GAACYP2C9
SCHEMBL16625354 0.84 PPARD (0.50) PPARDTSHRMEN1GAACYP2C9
SCHEMBL16625363 0.83 PPARD (0.57) PPARDTSHRMEN1GAACYP2C9
SCHEMBL17019847 0.81 PPARD (0.59) PPARDTSHRMEN1GAACYP2C9
SCHEMBL6187009 0.79 TSHR (0.50) PPARDTSHRACHETDP1
SCHEMBL19245711 0.78 PPARD (0.59) PPARDTSHRMEN1GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847201-B1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS UNIV QUEENSLAND (AU) 2017-08-16 EP disclosed
US-9200020-B2 6-oxopurine phosphoribosyltransferase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
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
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 3578/4885TSHR 3777/4885MEN1 4009/4885

“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.