SCHEMBL3679359

SCHEMBL3679359

CC(OC(N)=O)C1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A3 Q01959 2/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8055810 0.84 SLC6A3 (0.40) SMN1; SMN2HPGDALDH1A1L3MBTL1GAA
SCHEMBL27875923 0.79
SCHEMBL28631331 0.79
SCHEMBL19987653 0.78 L3MBTL1 (0.36) SMN1; SMN2HPGDALDH1A1L3MBTL1GAA
SCHEMBL16553217 0.76 L3MBTL1 (0.35) SMN1; SMN2HPGDALDH1A1L3MBTL1GAA
SCHEMBL24006379 0.75
Ammonia Solution, Strong SCHEMBL7016380 0.74 HCAR2 (0.46) SMN1; SMN2HPGDALDH1A1L3MBTL1GAA
SCHEMBL270189 0.74 L3MBTL1 (0.35) SMN1; SMN2HPGDALDH1A1L3MBTL1GAA
Vinyl Ether SCHEMBL28222295 0.73 L3MBTL1 (0.33) SMN1; SMN2HPGDALDH1A1L3MBTL1GAA
SCHEMBL5475612 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
EP-2491785-A1 Method and compositions for treating HIV infections Purdue Research Foundation (US) 2012-08-29 EP disclosed
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 US disclosed
EP-2120562-A2 METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS Purdue Research Foundation (US) 2009-11-25 EP disclosed
WO-2008133734-A2 METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS PURDUE RESEARCH FOUNDATION (US) 2008-11-06 WO 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 (1 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-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS SERPINB1, HPN, PRSS1 SMN1; SMN2 3881/4885HPGD 895/4885ALDH1A1 2856/4885

“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.