SCHEMBL147014

SCHEMBL147014

C=CCCOc1cc(OC)ccc1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.43
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
FLT3 P36888 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALPL P05186 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SLC37A4 O43826 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
RAPGEF3 O95398 1/20 0.35
LMNA P02545 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
SCHEMBL148520 0.93 TRPV4 (0.42) TRPV4ALDH1A1MAPTFLT3GAA
SCHEMBL150999 0.92 TRPV4 (0.41) TRPV4ALDH1A1MAPTFLT3GAA
SCHEMBL146202 0.86 FLT3 (0.40) ALDH1A1MAPTFLT3GAAKDM4E
SCHEMBL150262 0.86 FLT3 (0.50) TRPV4ALDH1A1MAPTFLT3GAA
SCHEMBL145974 0.80 ALDH1A1 (0.43) ALDH1A1MAPTFLT3GAAL3MBTL1
SCHEMBL146472 0.79 HDAC8 (0.43) ALDH1A1MAPTFLT3GAAL3MBTL1
SCHEMBL29482639 0.77 TRPV4 (0.68) TRPV4ALDH1A1GAAALPLL3MBTL1
SCHEMBL74997 0.77 TRPV4 (0.68) TRPV4ALDH1A1GAAALPLL3MBTL1
SCHEMBL31487704 0.76 ALDH1A1 (0.54) ALDH1A1MAPTFLT3GAAKDM4E
SCHEMBL2495200 0.75 TRPV4 (0.45) TRPV4ALDH1A1KDM4EL3MBTL1

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 2465/4885MAPT 3353/4885
US-20150111962-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS CTSS, DNPEP, PEPD TRPV4 4626/4885ALDH1A1 2465/4885MAPT 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.