SCHEMBL97277

SCHEMBL97277

Nc1ccn([C@H]2CS[C@@H](CCC=O)O2)c(=O)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.71
PDE3A Q14432 3/20 0.71
LMNA P02545 3/20 0.71
CACNA1F O60840 2/20 0.71
MAPT P10636 2/20 0.71
CACNA1D Q01668 2/20 0.71
CACNA1S Q13698 2/20 0.71
CACNA1C Q13936 2/20 0.71
POLG P54098 3/20 0.56
PDE4D Q08499 1/20 0.41
SLC29A1 Q99808 1/20 0.41
THRB P10828 1/20 0.40
MTOR P42345 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.38
NT5E P21589 1/20 0.34
POLA1 P09884 1/20 0.32
P2RY2 P41231 2/20 0.32

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
SCHEMBL13769959 0.84 ALB (0.79) ALBPDE3ALMNACACNA1FMAPT
SCHEMBL15018827 0.83 ALB (0.77) ALBPDE3ALMNACACNA1FMAPT
Lamivudine SCHEMBL12996723 0.83 ALB (1.00) ALBPDE3ALMNACACNA1FMAPT
Lamivudine SCHEMBL12964486 0.83 ALB (1.00) ALBPDE3ALMNACACNA1FMAPT
Lamivudine SCHEMBL465678 0.83 ALB (1.00) ALBPDE3ALMNACACNA1FMAPT
Lamivudine SCHEMBL2806818 0.83 ALB (1.00) ALBPDE3ALMNACACNA1FMAPT
Lamivudine SCHEMBL2422788 0.83 ALB (1.00) ALBPDE3ALMNACACNA1FMAPT
Lamivudine SCHEMBL2240686 0.83 ALB (1.00) ALBPDE3ALMNACACNA1FMAPT
SCHEMBL19688551 0.83 ALB (0.77) ALBPDE3ALMNACACNA1FMAPT
Lamivudine SCHEMBL109675 0.83 ALB (1.00) ALBPDE3ALMNACACNA1FMAPT

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 12 patents. 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-20140045794-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-20130072458-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. (US) 2013-03-21 US disclosed
US-8309565-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 ALB 4071/4885PDE3A 3055/4885LMNA 2747/4885
US-20140045794-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA ALB 4071/4885PDE3A 3055/4885LMNA 2747/4885
US-20130072458-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP ALB 1471/4885PDE3A 1125/4885LMNA 3859/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA ALB 4071/4885PDE3A 3055/4885LMNA 2747/4885
US-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA ALB 4071/4885PDE3A 3055/4885LMNA 2747/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA ALB 4071/4885PDE3A 3055/4885LMNA 2747/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP ALB 1471/4885PDE3A 1125/4885LMNA 3859/4885
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors HAVCR2, IRF3, CCL5 ALB 1930/4885PDE3A 3107/4885LMNA 4029/4885

“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.