SCHEMBL8445568

SCHEMBL8445568

CCC(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
PNP P00491 7/20 0.71
HBB P68871 2/20 0.71
TSHR P16473 2/20 0.71
BLM P54132 2/20 0.71
USP2 O75604 1/20 0.71
EDNRA P25101 1/20 0.71
HTR2A P28223 1/20 0.71
RECQL P46063 1/20 0.71
HSD17B10 Q99714 1/20 0.71
MAPK1 P28482 1/20 0.71
HPRT1 P00492 5/20 0.65
POLG P54098 1/20 0.62
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
VCP P55072 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL14501075 0.90 PNP (0.73) MEN1KMT2APNPHBBTSHR
SCHEMBL14501172 0.90 PNP (0.73) MEN1KMT2APNPHBBTSHR
SCHEMBL9019935 0.90 MEN1 (0.68) MEN1KMT2APNPHBBTSHR
SCHEMBL12088904 0.89 PNP (0.71) MEN1KMT2APNPHBBTSHR
Glycyl Ester Of Acyclovir SCHEMBL10502091 0.89 PNP (0.71) MEN1KMT2APNPHBBTSHR
SCHEMBL7814355 0.89 MEN1 (0.76) MEN1KMT2APNPHBBTSHR
SCHEMBL12671989 0.88 MEN1 (0.66) MEN1KMT2APNPHBBTSHR
SCHEMBL14501071 0.88 MEN1 (0.68) MEN1KMT2APNPHBBTSHR
SCHEMBL14421640 0.87 PNP (0.74) MEN1KMT2APNPHBBTSHR
SCHEMBL8842958 0.87 PNP (0.69) MEN1KMT2APNPHBBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US claimed
US-8278264-B2 Compositions and methods for enhancing drug delivery across and into ocular tissues KAI PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20120225826-A1 Transporters Comprising Spaced Arginine Moieties The Board of Trustees of the Leland Stanford Junior University; and Cellgate, Inc. 2012-09-06 US disclosed
US-20110206610-A1 COMPOSITIONS AND METHODS FOR ENHANCING DRUG DELIVERY ACROSS AND INTO EPITHELIAL TISSUES KAI PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20100081618-A1 Transporters Comprising Spaced Arginine Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US disclosed
US-7585834-B2 Transporters comprising spaced arginine moieties THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-08 US disclosed
EP-0704445-B1 Preparation of N-9 substituted guanine compounds HOFFMANN LA ROCHE (CH) 1999-04-21 EP disclosed
US-5565565-A Preparation of N-9 substituted guanine compounds SYNTEX (U.S.A.) INC. (US) 1996-10-15 US disclosed
EP-0704445-A1 Preparation of N-9 substituted guanine compounds F. Hoffmann-La Roche AG (CH) 1996-04-03 EP disclosed
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US disclosed
US-4287188-A PARTICULARLY 9-(2-HYDROXYETHOXYMETHYL) GUANINE MONOPHOSPHATE AND SALTS, USEFUL AS ANTIVIRIAL AGENTS BURROUGHS WELLCOME CO. (US) 1981-09-01 US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 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 (3 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-20100081618-A1 Transporters Comprising Spaced Arginine Moieties SLC43A1, SLC1A5, SLC7A5 MEN1 2628/4885KMT2A 3052/4885PNP 348/4885
US-20120225826-A1 Transporters Comprising Spaced Arginine Moieties SLC43A1, SLC1A5, SLC7A5 MEN1 2628/4885KMT2A 3052/4885PNP 348/4885
US-20110206610-A1 COMPOSITIONS AND METHODS FOR ENHANCING DRUG DELIVERY ACROSS AND INTO EPITHELIAL TISSUES SLC7A1, ADM2, ARG1 MEN1 1162/4885KMT2A 3370/4885PNP 1657/4885

“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.