SCHEMBL145974

SCHEMBL145974

C=CCCCOc1cc(OC)ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FLT3 P36888 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAPGEF3 O95398 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 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
SCHEMBL146472 0.96 HDAC8 (0.43) ALDH1A1L3MBTL1FLT3HDAC8GAA
SCHEMBL146202 0.93 FLT3 (0.40) ALDH1A1L3MBTL1FLT3HDAC8GAA
SCHEMBL148520 0.87 TRPV4 (0.42) ALDH1A1L3MBTL1FLT3HDAC8GAA
SCHEMBL124810 0.85 FLT3 (0.53) ALDH1A1FLT3GAAMAPTRAPGEF3
SCHEMBL3745001 0.84 HPGD (0.44) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL150999 0.83 TRPV4 (0.41) ALDH1A1L3MBTL1FLT3HDAC8GAA
SCHEMBL147014 0.80 TRPV4 (0.43) ALDH1A1L3MBTL1FLT3HDAC8GAA
SCHEMBL13075811 0.80 GAA (0.40) ALDH1A1L3MBTL1FLT3GAALMNA
SCHEMBL18721778 0.77 KEAP1 (0.37) ALDH1A1FLT3GAALMNAMEN1
SCHEMBL669063 0.76 GAA (0.54) ALDH1A1L3MBTL1GAAMEN1KMT2A

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 ALDH1A1 2465/4885L3MBTL1 1928/4885FLT3 2316/4885
US-20150111962-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS CTSS, DNPEP, PEPD ALDH1A1 2465/4885L3MBTL1 1928/4885FLT3 2316/4885

“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.