SCHEMBL148520

SCHEMBL148520

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FLT3 P36888 1/20 0.39
HDAC8 Q9BY41 3/20 0.39
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALPL P05186 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL150999 0.96 TRPV4 (0.41) TRPV4ALDH1A1L3MBTL1FLT3HDAC8
SCHEMBL147014 0.93 TRPV4 (0.43) TRPV4ALDH1A1L3MBTL1FLT3HDAC8
SCHEMBL145974 0.87 ALDH1A1 (0.43) ALDH1A1L3MBTL1FLT3HDAC8MAPT
SCHEMBL150262 0.85 FLT3 (0.50) TRPV4ALDH1A1L3MBTL1FLT3MAPT
SCHEMBL146472 0.83 HDAC8 (0.43) ALDH1A1L3MBTL1FLT3HDAC8MAPT
SCHEMBL146202 0.80 FLT3 (0.40) ALDH1A1L3MBTL1FLT3HDAC8MAPT
SCHEMBL18721778 0.77 KEAP1 (0.37) ALDH1A1FLT3GAALMNASMN1; SMN2
SCHEMBL29482639 0.76 TRPV4 (0.68) TRPV4ALDH1A1L3MBTL1GAAALPL
SCHEMBL74997 0.76 TRPV4 (0.68) TRPV4ALDH1A1L3MBTL1GAAALPL
SCHEMBL4493224 0.76 TRPV4 (0.49) TRPV4ALDH1A1L3MBTL1MAPTGAA

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 TRPV4 4626/4885ALDH1A1 2465/4885L3MBTL1 1928/4885
US-20150111962-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS CTSS, DNPEP, PEPD TRPV4 4626/4885ALDH1A1 2465/4885L3MBTL1 1928/4885

“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.