SCHEMBL13344784

SCHEMBL13344784

CC(C)S(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.56
MAPT P10636 8/20 0.56
NPSR1 Q6W5P4 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 4/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 3/20 0.51
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 2/20 0.46
PTGS2 P35354 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
RAB9A P51151 1/20 0.46
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1710001 0.86 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL17997146 0.82 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL12443641 0.81 MAPT (0.69) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL16162343 0.80 ALDH1A1 (0.65) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL2978401 0.78 ALDH1A1 (0.71) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL9615741 0.77 ALDH1A1 (0.61) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL27940169 0.77 ALDH1A1 (0.61) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL9796248 0.77 ALDH1A1 (0.61) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL21482478 0.76 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL21486317 0.75 ALDH1A1 (0.58) ALDH1A1MAPTNPSR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723536-B2 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-05-25 US disclosed
US-7652031-B2 Compounds which mimic the chemical and biological properties of discodermolide THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-26 US disclosed
US-20090187031-A1 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-07-23 US disclosed
US-7368585-B2 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-05-06 US disclosed
US-20070043223-A1 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-22 US 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-20070043223-A1 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof LSS, DHPS, ERG28 ALDH1A1 3187/4885MAPT 4520/4885NPSR1 2792/4885
US-20090187031-A1 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof LSS, DHPS, ERG28 ALDH1A1 3187/4885MAPT 4520/4885NPSR1 2792/4885

“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.