SCHEMBL16038199

SCHEMBL16038199

C[C@H](Cn1ccc(=O)[nH]c1=O)OCP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.62
PKM P14618 1/20 0.54
CYP3A4 P08684 1/20 0.47
FGFR1 P11362 1/20 0.43
HPRT1 P00492 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
ENPP1 P22413 3/20 0.41
CRBN Q96SW2 1/20 0.40
DUT P33316 1/20 0.39

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
SCHEMBL16020701 1.00 TYMP (0.62) TYMPPKMCYP3A4FGFR1HPRT1
SCHEMBL25611084 1.00 TYMP (0.62) TYMPPKMCYP3A4FGFR1HPRT1
SCHEMBL27608399 0.77 PKM (0.59) PKMCRBNDUT
SCHEMBL25611101 0.77 TYMP (0.44) TYMPPKMCYP3A4FGFR1HPRT1
SCHEMBL16038194 0.77 TYMP (1.00) TYMPCYP3A4HPRT1
SCHEMBL16020642 0.77 TYMP (1.00) TYMPCYP3A4HPRT1
SCHEMBL7133033 0.75 PKM (0.65) PKMCRBNDUT
SCHEMBL7262522 0.75 FGFR1 (0.72) TYMPCYP3A4FGFR1HPRT1SLC22A6
SCHEMBL7262516 0.75 FGFR1 (0.72) TYMPCYP3A4FGFR1HPRT1SLC22A6
SCHEMBL16038187 0.74 PKM (0.43) TYMPPKMFGFR1SLC22A6ENPP1

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
US-10195222-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-05 US disclosed
US-20180064737-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS UNIV CALIFORNIA (US) 2018-03-08 US disclosed
US-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-07-06 US disclosed
US-9629860-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 US disclosed
US-20140274959-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2014-09-18 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 (4 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-20180064737-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP TYMP 3/4885PKM 1490/4885CYP3A4 3422/4885
US-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP TYMP 3/4885PKM 1490/4885CYP3A4 3422/4885
US-20140274959-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP TYMP 3/4885PKM 1490/4885CYP3A4 3422/4885
US-10195222-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP TYMP 3/4885PKM 1490/4885CYP3A4 3422/4885

“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.