SCHEMBL97280

SCHEMBL97280

Nc1nc2c(ncn2COC2CCP(=O)(O)OC2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 7/20 0.53
▸ BLM P54132 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ EDNRA P25101 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ HBB P68871 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ VCP P55072 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HPRT1 P00492 3/20 0.49
▸ POLG P54098 1/20 0.47

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
SCHEMBL13528364 0.90 PNP (0.52) PNPBLMUSP2TSHREDNRA
SCHEMBL29503314 0.88 PNP (0.56) PNPBLMUSP2TSHREDNRA
SCHEMBL18744083 0.84 PNP (0.54) PNPBLMUSP2TSHREDNRA
SCHEMBL10402774 0.79 PNP (0.57) PNPBLMUSP2TSHREDNRA
SCHEMBL7614528 0.76 PNP (0.58) PNPBLMUSP2TSHREDNRA
SCHEMBL18059144 0.74 PNP (0.50) PNPBLMUSP2TSHREDNRA
SCHEMBL14121679 0.74 PNP (0.54) PNPBLMUSP2TSHREDNRA
SCHEMBL14137223 0.74 PNP (0.51) PNPBLMUSP2TSHREDNRA
SCHEMBL14125281 0.73 PNP (0.50) PNPBLMUSP2TSHREDNRA
SCHEMBL10496676 0.73 TK1 (0.56) PNPBLMUSP2TSHREDNRA

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239279-A1 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA (US) 2017-08-24 — — US disclosed
US-20170239279-A1 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA (US) 2017-08-24 — — US disclosed
US-9649321-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-16 — — US disclosed
US-9649321-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-16 — — US disclosed
US-20160067268-A1 PHOSPHONATE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-10 — — US disclosed
US-20160067268-A1 PHOSPHONATE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-10 — — US disclosed
US-9206208-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-08 — — US disclosed
US-9206208-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-08 — — US disclosed
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 — — US disclosed
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 — — US disclosed
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 — — US disclosed
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 — — US disclosed
US-7687480-B2 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-30 — — US disclosed
US-7687480-B2 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-30 — — US disclosed
US-7452898-B2 Use of 1-O-octadecylpropanediol-3-cidofovir to treat viral diseases such as HIV, influenza, herpes virus, cytomegalovirus, hepatitis virus, Epstein-Barr virus, varicella zoster virus, orthopox virus, ebola virus and papilloma virus THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-18 — — US disclosed
US-7452898-B2 Use of 1-O-octadecylpropanediol-3-cidofovir to treat viral diseases such as HIV, influenza, herpes virus, cytomegalovirus, hepatitis virus, Epstein-Barr virus, varicella zoster virus, orthopox virus, ebola virus and papilloma virus THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-18 — — US disclosed
US-20080103115-A1 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-05-01 — — US disclosed
US-20080103115-A1 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-05-01 — — US disclosed
US-20070161602-A1 New phosphonate ester derivatives of purine or pyrimidine antivirals; side effect reduction, less toxic, bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-07-12 — — US disclosed
US-20070161602-A1 New phosphonate ester derivatives of purine or pyrimidine antivirals; side effect reduction, less toxic, bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-07-12 — — 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 (6 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-20080103115-A1 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections APRT, AASDHPPT, APOBEC3G PNP 11/4885BLM 1573/4885USP2 3661/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA PNP 74/4885BLM 3431/4885USP2 4514/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA PNP 74/4885BLM 3431/4885USP2 4514/4885
US-20070161602-A1 New phosphonate ester derivatives of purine or pyrimidine antivirals; side effect reduction, less toxic, bioavailability PNP, TYMP, UMPS PNP 1/4885BLM 1423/4885USP2 4053/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP PNP 727/4885BLM 2664/4885USP2 2610/4885
US-20100173870-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA PNP 74/4885BLM 3431/4885USP2 4514/4885

“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.

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