SCHEMBL1114686

SCHEMBL1114686

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.52
ALDH1A1 P00352 14/20 0.50
MAPT P10636 7/20 0.50
TP53 P04637 6/20 0.50
LMNA P02545 5/20 0.50
HTT P42858 5/20 0.50
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPC1 O15118 1/20 0.43
GFER P55789 1/20 0.41
HSD11B1 P28845 1/20 0.40
ALOX12 P18054 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL13738958 1.00 PTPRB (0.52) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL13739456 1.00 PTPRB (0.52) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL15665061 1.00 PTPRB (0.52) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL20052978 0.91 ALDH1A1 (0.54) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL15664415 0.83 PTPRB (0.43) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL15664417 0.83 PTPRB (0.43) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL15679446 0.83 PTPRB (0.44) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL13483471 0.80 ALDH1A1 (0.50) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL2413693 0.80 ALDH1A1 (0.52) PTPRBALDH1A1MAPTTP53LMNA
SCHEMBL1980247 0.79 ALDH1A1 (0.61) PTPRBALDH1A1MAPTTP53LMNA

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 9 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
EP-2278995-A2 COMPOUNDS FOR USE IN THERAPY Bangor University (GB) 2011-02-02 EP disclosed
EP-2278996-A1 ADJUVANTS FOR USE IN VACCINATION Bangor University (GB) 2011-02-02 EP disclosed
WO-2009130508-A1 ADJUVANTS FOR USE IN VACCINATION BANGOR UNIVERSITY (GB) 2009-10-29 WO disclosed
WO-2009130506-A2 COMPOUNDS FOR USE IN THERAPY BANGOR UNIVERSITY (GB) 2009-10-29 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-20110142916-A1 Adjuvants for Use in Vaccination NR1H3, NR1H2, INTS6 PTPRB 1826/4885ALDH1A1 4317/4885MAPT 4766/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST PTPRB 1848/4885ALDH1A1 1837/4885MAPT 4322/4885

“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.