SCHEMBL146202

SCHEMBL146202

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 3/20 0.38
SLC37A4 O43826 1/20 0.37
RAPGEF3 O95398 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APLNR P35414 1/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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 0.93 ALDH1A1 (0.43) FLT3GAAALDH1A1MAPTHDAC8
SCHEMBL146472 0.92 HDAC8 (0.43) FLT3GAAALDH1A1MAPTHDAC8
SCHEMBL147014 0.86 TRPV4 (0.43) FLT3GAAKDM4EALDH1A1MAPT
SCHEMBL124810 0.86 FLT3 (0.53) FLT3GAAKDM4EALDH1A1MAPT
SCHEMBL13075811 0.81 GAA (0.40) FLT3GAAALDH1A1MAPTRAPGEF3
SCHEMBL148520 0.80 TRPV4 (0.42) FLT3GAAALDH1A1MAPTHDAC8
SCHEMBL150999 0.79 TRPV4 (0.41) FLT3GAAALDH1A1MAPTHDAC8
SCHEMBL669063 0.77 GAA (0.54) GAAALDH1A1RAPGEF3L3MBTL1MEN1
SCHEMBL3745001 0.77 HPGD (0.44) KDM4EALDH1A1MAPTLMNAL3MBTL1
SCHEMBL10745617 0.76 GAA (0.52) GAAALDH1A1MAPTRAPGEF3L3MBTL1

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 FLT3 2316/4885GAA 109/4885KDM4E 1161/4885
US-20150111962-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS CTSS, DNPEP, PEPD FLT3 2316/4885GAA 109/4885KDM4E 1161/4885

“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.