SCHEMBL4901757

SCHEMBL4901757

CC(C)[C@@H](C(=O)O)N(CCOCn1cnc2c(=O)[nH]c(N)nc21)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HBB P68871 2/20 0.56
MAPK1 P28482 1/20 0.56
HPRT1 P00492 5/20 0.56
PNP P00491 10/20 0.52
BLM P54132 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PDE3A Q14432 1/20 0.46
POLG P54098 1/20 0.46
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

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
SCHEMBL9414136 0.93 HPRT1 (0.54) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL8448753 0.88 MEN1 (0.57) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL7778377 0.88 PDE3A (0.54) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL13928911 0.79 MEN1 (0.65) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL4910722 0.79 MEN1 (0.65) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL14986937 0.77 MEN1 (0.62) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL7778380 0.77 HINT1 (0.40) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL4901750 0.76 MEN1 (0.54) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL13916680 0.76 MEN1 (0.61) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL9740943 0.76 PNP (0.67) MEN1KMT2AHBBMAPK1HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281099-A1 PROCESS FOR PURIFYING VALACYCLOVIR HYDROCHLORIDE AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES, INC. 2008-11-13 US claimed
US-20080281099-A1 PROCESS FOR PURIFYING VALACYCLOVIR HYDROCHLORIDE AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES, INC. 2008-11-13 US disclosed
EP-0804436-B1 GUANINE DERIVATIVE WELLCOME FOUND (GB) 2005-08-24 EP disclosed
EP-0874631-B1 USE OF VALACICLOVIR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF GENITAL HERPES BY A SINGLE DAILY APPLICATION GLAXO GROUP LTD (GB) 2003-11-19 EP disclosed
US-6107302-A STORAGE STABLE VALACICLOVIR IN ANHYDROUS CRYSTALLINE FORM; VIRICIDE AGAINST HERPES VIRUS GLAXO WELLCOME INC. (US) 2000-08-22 US disclosed
EP-0806943-B1 VALACICLOVIR TABLETS CONTAINING COLLOIDAL SILICON DIOXIDE WELLCOME FOUND (GB) 2000-03-15 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-20080281099-A1 PROCESS FOR PURIFYING VALACYCLOVIR HYDROCHLORIDE AND INTERMEDIATES THEREOF TYMP, IMPDH1, UMPS MEN1 2205/4885KMT2A 1845/4885HBB 1851/4885

“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.