SCHEMBL1114641

SCHEMBL1114641

CCCCCCCCCCCCCCCCCC[C@H](C)[C@H](CCCCCCCCCCCCCCCCCO)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
PSMD14 O00487 1/20 0.32
PLA2G1B P04054 1/20 0.32
MMP2 P08253 1/20 0.32
RAD52 P43351 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
SMPD1 P17405 3/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL1114632 1.00 PTPN1 (0.40) PTPN1LMNAALDH1A1HSD17B10MEN1
SCHEMBL10926505 0.82 GPR84 (0.36) PTPN1PSMD14PLA2G1BMMP2RAD52
SCHEMBL1114904 0.82 TP53 (0.34) ALDH1A1MEN1KMT2ASPHK1
SCHEMBL1114476 0.82 TSHR (0.43) PTPN1TSHRCA2
SCHEMBL1114825 0.82 TSHR (0.43) PTPN1TSHRCA2
SCHEMBL1741180 0.81 SPHK1 (0.38) PTPN1LMNASPHK1CA2
SCHEMBL8499855 0.81 LMNA (0.43) PTPN1LMNAALDH1A1HSD17B10MEN1
SCHEMBL27089875 0.81 LMNA (0.43) PTPN1LMNAALDH1A1HSD17B10MEN1
SCHEMBL11899433 0.81 SPHK1 (0.38) PTPN1LMNASPHK1CA2
SCHEMBL1741163 0.80 SPHK1 (0.35) PTPN1SPHK1CA2

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-2009130506-A2 COMPOUNDS FOR USE IN THERAPY BANGOR UNIVERSITY (GB) 2009-10-29 WO disclosed
WO-2009130508-A1 ADJUVANTS FOR USE IN VACCINATION 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 PTPN1 1063/4885LMNA 4409/4885ALDH1A1 4317/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST PTPN1 923/4885LMNA 4575/4885ALDH1A1 1837/4885

“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.