SCHEMBL1509546

SCHEMBL1509546

O=Cc1cccc(B(O)O)c1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.59
TLR2 O60603 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
IAPP P10997 1/20 0.40
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL419950 0.81 ERN1 (0.76) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL233987 0.79 LMNA (0.57) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL29399191 0.79 LMNA (0.57) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL31317371 0.78 ALDH1A1 (0.46) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL3426311 0.78 MEN1 (0.44) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL23797212 0.77 LMNA (0.55) ERN1TLR2TLR1TLR6TRIM24
Hydrochloric Acid SCHEMBL28918663 0.77 LMNA (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL28597133 0.77 LMNA (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL1278618 0.77 ERN1 (0.48) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL28858594 0.77 TDP1 (0.42) ERN1TLR2TLR1TLR6TRIM24

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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 (1 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ERN1 1996/4885TLR2 75/4885TLR1 66/4885

“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.