SCHEMBL146472

SCHEMBL146472

C=CCCCCOc1cc(OC)ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.43
FLT3 P36888 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
PPARA Q07869 1/20 0.37
RAPGEF3 O95398 1/20 0.36

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
SCHEMBL145974 0.96 ALDH1A1 (0.43) HDAC8FLT3MAPTALDH1A1L3MBTL1
SCHEMBL146202 0.92 FLT3 (0.40) HDAC8FLT3MAPTALDH1A1L3MBTL1
SCHEMBL150999 0.87 TRPV4 (0.41) HDAC8FLT3MAPTALDH1A1L3MBTL1
SCHEMBL124810 0.84 FLT3 (0.53) FLT3MAPTALDH1A1GAARAPGEF3
SCHEMBL148520 0.83 TRPV4 (0.42) HDAC8FLT3MAPTALDH1A1L3MBTL1
SCHEMBL3745001 0.80 HPGD (0.44) MAPTALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL147014 0.79 TRPV4 (0.43) HDAC8FLT3MAPTALDH1A1L3MBTL1
SCHEMBL13075811 0.79 GAA (0.40) FLT3MAPTALDH1A1L3MBTL1GAA
SCHEMBL18721778 0.78 KEAP1 (0.37) FLT3ALDH1A1MEN1KMT2AGAA
SCHEMBL18721898 0.78 THRA (0.40) ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617276-B2 Compounds and methods for treating AIDS and HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-04-11 US disclosed
US-20150111962-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US disclosed
US-8921349-B2 Compounds and methods for treating AIDS and HIV infections PURDUE RESEARCH FOUNDATION (US) 2014-12-30 US disclosed
EP-2429290-B1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS PURDUE RESEARCH FOUNDATION (US) 2014-01-01 EP disclosed
EP-2429290-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS Purdue Research Foundation (US) 2012-03-21 EP disclosed
US-20120059161-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS PURDUE RESEARCH FOUNDATION (US) 2012-03-08 US disclosed
WO-2010132494-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS GHOSH ARUN K (US) 2010-11-18 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 (2 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-20120059161-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS CTSS, DNPEP, PEPD HDAC8 467/4885FLT3 2316/4885MAPT 3353/4885
US-20150111962-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS CTSS, DNPEP, PEPD HDAC8 467/4885FLT3 2316/4885MAPT 3353/4885

“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.