SCHEMBL173060

SCHEMBL173060

Nc1nc2c(ncn2C[C@@H](CO)OCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 17/20 0.81
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
CYP3A4 P08684 1/20 0.67
NFKB1 P19838 1/20 0.67
BLM P54132 1/20 0.67
VCP P55072 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HIF1A Q16665 1/20 0.67
PNP P00491 1/20 0.58

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
SCHEMBL84257 1.00 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9175736 1.00 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL97316 0.92 HPRT1 (0.75) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL14669187 0.91 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL14669071 0.91 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL14669070 0.91 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL16020658 0.91 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9189420 0.91 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL3856994 0.91 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9055551 0.90 HPRT1 (0.66) HPRT1MEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564591-B1 MALEIC ANHYDRIDE/VINYL OR ALLYL ETHER POLYMER STAIN-RESISTS DU PONT (US) 1995-05-24 EP claimed
US-20120058975-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-08 US disclosed
US-8008308-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US disclosed
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 US disclosed
US-5468769-A Antitumor ABBOTT LABORATORIES (US) 1995-11-21 US disclosed
EP-0452935-B1 Chiral 2-(phosphonomethoxy)propyl guanines as antiviral agents ACAD OF SCIENCE CZECH REPUBLIC (CS) 1995-06-21 EP disclosed
US-5302585-A Viricides, HIV virus INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1994-04-12 US disclosed
EP-0452935-A1 Chiral 2-(phosphonomethoxy)propyl guanines as antiviral agents INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1991-10-23 EP disclosed
EP-0270885-A1 Synthesis of purin-9-ylalkylenoxymethyl phosphonic acids Bristol-Myers Squibb Company (US) 1988-06-15 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 (2 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-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA HPRT1 130/4885MEN1 464/4885ALDH1A1 3840/4885
US-20100173870-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA HPRT1 130/4885MEN1 464/4885ALDH1A1 3840/4885

“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.