SCHEMBL5555699

SCHEMBL5555699

COC(O)C(COC(C)=O)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
BLM P54132 2/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
VCP P55072 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HBB P68871 2/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.43
PNP P00491 1/20 0.43
TSHR P16473 1/20 0.43
EDNRA P25101 1/20 0.43
HTR2A P28223 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL7620005 0.90 HPRT1 (0.49) HPRT1MEN1KMT2ABLMPDE3A
SCHEMBL6840618 0.88 PDE3A (0.59) HPRT1MEN1KMT2ABLMPDE3A
Hydrochloric Acid SCHEMBL5165704 0.87 HBB (0.58) HPRT1MEN1KMT2ABLMPDE3A
SCHEMBL5166552 0.86 MEN1 (0.54) HPRT1MEN1KMT2ABLMPDE3A
SCHEMBL7622544 0.85 HPRT1 (0.51) HPRT1MEN1KMT2ABLMPDE3A
Hydrochloric Acid SCHEMBL6380562 0.81 HPRT1 (0.51) HPRT1MEN1KMT2ABLMALDH1A1
Valine SCHEMBL8868227 0.79 PDE3A (0.51) HPRT1MEN1KMT2ABLMPDE3A
SCHEMBL8712058 0.79 MEN1 (0.49) HPRT1MEN1KMT2ABLMPDE3A
SCHEMBL21162677 0.76 PDE3A (0.55) HPRT1MEN1KMT2ABLMPDE3A
SCHEMBL7749536 0.76 HPRT1 (0.67) HPRT1MEN1KMT2ABLMPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324381-B2 Preparation of ester of purine derivatives CIPLA LIMITED (IN) 2012-12-04 US disclosed
US-20070225305-A1 Preparation of ester of purine derivatives CIPLA LIMITED (IN) 2007-09-27 US disclosed
EP-1837336-A1 Preparation of valganciclovir Cipla Ltd. (IN) 2007-09-26 EP disclosed
EP-0885224-B1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-12-18 EP 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-20070225305-A1 Preparation of ester of purine derivatives PNP, TYMP, MTAP HPRT1 17/4885MEN1 3875/4885KMT2A 1546/4885

“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.