SCHEMBL1976898

SCHEMBL1976898

O=S(=O)(CCCCCCCCCCCCO)c1nnnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.61
MAPT P10636 8/20 0.61
HTT P42858 5/20 0.61
LMNA P02545 5/20 0.61
TP53 P04637 5/20 0.61
HPGD P15428 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
HSD17B10 Q99714 3/20 0.61
PTPRB P23467 1/20 0.48
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
GFER P55789 1/20 0.40
TSHR P16473 1/20 0.40
HSD11B1 P28845 2/20 0.39

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
SCHEMBL27842842 0.94 ALDH1A1 (0.64) ALDH1A1MAPTHTTLMNATP53
SCHEMBL1980247 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL28102527 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL1975310 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL15664687 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL16218976 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL18797525 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNATP53
SCHEMBL17511740 0.84 ALDH1A1 (0.63) ALDH1A1MAPTHTTLMNATP53
SCHEMBL2966537 0.83 ALDH1A1 (0.64) ALDH1A1MAPTHTTLMNATP53
SCHEMBL22070796 0.80 ALDH1A1 (0.59) ALDH1A1MAPTHTTLMNATP53

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-8889894-B2 Compounds for use in therapy BANGOR UNIVERSITY (GB) 2014-11-18 US disclosed
US-8728515-B2 Adjuvants for use in vaccination BANGOR UNIVERSITY (GB) 2014-05-20 US disclosed
EP-2620158-A1 Adjuvants for use in vaccination Bangor University (GB) 2013-07-31 EP disclosed
US-20110150981-A1 Compounds for Use in Therapy BANGOR UNIVERSITY (GB) 2011-06-23 US disclosed
US-20110142916-A1 Adjuvants for Use in Vaccination BANGOR UNIVERSITY (GB) 2011-06-16 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-20110142916-A1 Adjuvants for Use in Vaccination NR1H3, NR1H2, INTS6 ALDH1A1 4317/4885MAPT 4766/4885HTT 2273/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST ALDH1A1 1837/4885MAPT 4322/4885HTT 1950/4885

“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.