SCHEMBL97302

SCHEMBL97302

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)COCCn1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 1.00
CYP3A4 P08684 13/20 0.73
CYP2D6 P10635 11/20 0.73
SLC22A6 Q4U2R8 1/20 0.64

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
SCHEMBL16020629 0.96 FGFR1 (0.93) FGFR1CYP3A4CYP2D6SLC22A6
SCHEMBL20644448 0.92 FGFR1 (0.85) FGFR1CYP3A4CYP2D6SLC22A6
SCHEMBL173078 0.89 FGFR1 (0.80) FGFR1CYP3A4CYP2D6SLC22A6
SCHEMBL13114436 0.88 FGFR1 (0.79) FGFR1CYP3A4CYP2D6SLC22A6
SCHEMBL20644361 0.88 FGFR1 (0.79) FGFR1CYP3A4CYP2D6SLC22A6
SCHEMBL19470287 0.88 FGFR1 (0.78) FGFR1CYP3A4CYP2D6SLC22A6
Tenofovir Exalidex SCHEMBL8268123 0.85 CYP3A4 (0.98) FGFR1CYP3A4CYP2D6
Tenofovir Exalidex SCHEMBL2299893 0.85 CYP3A4 (0.98) FGFR1CYP3A4CYP2D6
SCHEMBL23014999 0.84 CYP3A4 (0.97) CYP3A4CYP2D6
SCHEMBL23015000 0.84 CYP3A4 (0.97) CYP3A4CYP2D6

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 23 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-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-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-20150051174-A1 Phosphonate Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
US-8889658-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8710030-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-29 US disclosed
US-20140045794-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-8642577-B2 Compounds, compositions and methods for the treatment of poxvirus infections CHIMERIX, INC. (US) 2014-02-04 US disclosed
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors CHIMERIX, INC. (US) 2012-06-28 US disclosed
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-20110015149-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS AND OTHER MEDICAL DISORDERS CHIMERIX, INC. 2011-01-20 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-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-20070003516-A1 Compounds, compositions and methods for the treatment of poxvirus infections EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2007-01-04 US disclosed
US-20070003608-A1 Compounds, compositions and methods for the treatment of viral infections and other medical disorders CHIMERIX, INC. 2007-01-04 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 (12 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-20150051174-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA FGFR1 1716/4885CYP3A4 2408/4885CYP2D6 3148/4885
US-20140045794-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA FGFR1 1716/4885CYP3A4 2408/4885CYP2D6 3148/4885
US-20080103115-A1 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections APRT, AASDHPPT, APOBEC3G FGFR1 2772/4885CYP3A4 43/4885CYP2D6 299/4885
US-20070003516-A1 Compounds, compositions and methods for the treatment of poxvirus infections IFNG, POLI, STING1 FGFR1 4780/4885CYP3A4 3783/4885CYP2D6 3385/4885
US-20110015149-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS AND OTHER MEDICAL DISORDERS ACE, CYP27A1, LIPC FGFR1 3111/4885CYP3A4 25/4885CYP2D6 28/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA FGFR1 1716/4885CYP3A4 2408/4885CYP2D6 3148/4885
US-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA FGFR1 1716/4885CYP3A4 2408/4885CYP2D6 3148/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA FGFR1 1716/4885CYP3A4 2408/4885CYP2D6 3148/4885
US-20070003608-A1 Compounds, compositions and methods for the treatment of viral infections and other medical disorders ACE, CYP27A1, LIPC FGFR1 3111/4885CYP3A4 25/4885CYP2D6 28/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP FGFR1 4116/4885CYP3A4 2858/4885CYP2D6 3190/4885
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors HAVCR2, IRF3, CCL5 FGFR1 1945/4885CYP3A4 2550/4885CYP2D6 3089/4885
US-20100173870-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA FGFR1 1716/4885CYP3A4 2408/4885CYP2D6 3148/4885

“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.