Hept

Hept

SCHEMBL1732034

CCOP(=O)(OCC)OP(=O)(OCC)OCC.Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.40
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 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
Hept SCHEMBL384288 0.89 UPP1 (0.48) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL8770174 0.80 UPP1 (0.42) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9353985 0.79 UPP1 (0.49) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL2789609 0.79 UPP1 (0.40) UPP1ALDH1A1TSHRHPGD
SCHEMBL2036799 0.79 UPP1 (0.39) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL8760090 0.79 UPP1 (0.49) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL7219920 0.78 ALDH1A1 (0.52) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9357959 0.77 UPP1 (0.39) UPP1ALDH1A1TSHR
SCHEMBL9353768 0.77 UPP1 (0.39) UPP1
SCHEMBL7219572 0.77 ALDH1A1 (0.39) UPP1ALDH1A1TSHRMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 US disclosed
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US disclosed
EP-1866319-B1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS UNIV CALIFORNIA (US) 2011-11-23 EP disclosed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 US disclosed
EP-1866319-A1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-19 EP disclosed
WO-2006137953-A1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS THE REGENTS OF THE UNIVERISITY OF CALIFORNIA (US) 2006-12-28 WO disclosed
US-6911424-B2 2′-fluoronucleosides EMORY UNIVERSITY (US) 2005-06-28 US disclosed
US-20020198171-A1 2'-fluoronucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-26 US disclosed
US-6410546-B1 AIDS THERAPY TRIANGLE PHARMACEUTICALS, INC. 2002-06-25 US disclosed
US-6407077-B1 ADMINISTERING B-L-(-2*-AZIDO)-2*,3*-DIDEOXY-5-FLUOROCYTIDINE DERIVATIVE; ACQUIRED IMMUNE DEFICIENCY SYNDROMOE (AIDS) TREATMENT EMORY UNIVERSITY 2002-06-18 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 (3 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-20020198171-A1 2'-fluoronucleosides NSUN2, PNP, FDPS UPP1 129/4885ALDH1A1 3361/4885TSHR 2905/4885
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs PNP, TYMP, ENPP1 UPP1 13/4885ALDH1A1 2874/4885TSHR 3345/4885
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 UPP1 29/4885ALDH1A1 3202/4885TSHR 3689/4885

“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.