SCHEMBL170512

SCHEMBL170512

O=P(O)(O)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
ACP3 P15309 11/20 0.53
PTPN1 P18031 2/20 0.47
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
POLB P06746 1/20 0.41

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
SCHEMBL6565838 0.79 SRC (0.54) SRCACP3PGK1PGK2
SCHEMBL777991 0.73 ACP3 (0.53) SRCACP3PTPN1PGK1PGK2
SCHEMBL5158165 0.73 SRC (0.47) SRCACP3PTPN1
SCHEMBL5256535 0.71 PGK1 (0.77) SRCACP3PGK1PGK2
SCHEMBL779181 0.71 PTPN5 (0.40) ACP3PTPN1PGK1PGK2
SCHEMBL776864 0.71 ACP3 (0.58) SRCACP3PTPN1
SCHEMBL232244 0.70 ACP3 (0.79) SRCACP3PGK1PGK2
SCHEMBL4094661 0.70 SRC (1.00) SRCACP3PGK1PGK2
SCHEMBL382252 0.70 ACP3 (0.42) SRCACP3PTPN1
SCHEMBL1276957 0.69 POLB (0.51) SRCACP3PTPN1PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071110-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-11 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-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
EP-2842559-A2 Compounds, compositions and methods for the treatment of viral infections and other medical disorders Chimerix, Inc. (US) 2015-03-04 EP 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-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
EP-1233770-A4 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA AT SAN DIEGO (US) 2003-04-16 EP disclosed
EP-1233770-A2 PHOSPHONATE COMPOUNDS The Regents of The University of California at San Diego (US) 2002-08-28 EP disclosed
US-6416737-B1 SCREENING COMPOUNDS (BISPHOSPHONATES SUCH AS ALENDRONATES) THAT INCREASE BONE STRENGTH BY CONTACTING OSTEOCYTES WITH THE COMPOUND, MEASURING THE APOPTOSIS OF THE CELLS, AND SELECTING THE COMPOUND THAT INHIBITS APOPTOSIS IN OSTEOBLASTS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2002-07-09 US disclosed
EP-1121132-A1 METHOD AND COMPOSITIONS FOR INCREASING BONE MASS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2001-08-08 EP disclosed
WO-2001039724-A2 PHOSPHONATE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2001-06-07 WO disclosed
WO-2000028982-A2 INCREASING BONE STRENGTH WITH SELECTED BISPHOSPHONATES THE BOARD OF TRUSTEES FOR THE UNIVERSITY OF ARKANSAS (US) 2000-05-25 WO disclosed
WO-2000020007-A1 METHOD AND COMPOSITIONS FOR INCREASING BONE MASS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2000-04-13 WO disclosed
US-5532226-A FOR INCREASING BONE FORMATION AND BONE MASS IN MAMMALS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-07-02 US disclosed
US-5300687-A Trifluoromethylbenzylphosphonates useful in treating osteoporosis ORTHO PHARMACEUTICAL CORPORATION (US) 1994-04-05 US disclosed
EP-0524023-A1 Trifluoromethylbenzylphosphonates useful in treating osteoporosis ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-20 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 (5 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 SRC 1342/4885ACP3 17/4885PTPN1 1142/4885
US-10071110-B2 Phosphonate compounds PHPT1, PHOSPHO1, PIK3CA SRC 1342/4885ACP3 17/4885PTPN1 1142/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA SRC 1342/4885ACP3 17/4885PTPN1 1142/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA SRC 1342/4885ACP3 17/4885PTPN1 1142/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP SRC 3219/4885ACP3 971/4885PTPN1 2125/4885

“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.