SCHEMBL1509548

SCHEMBL1509548

O=Cc1cccc(B(O)OO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SRC P12931 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ENPP2 Q13822 1/20 0.38
CYP2A6 P11509 1/20 0.37
MAOA P21397 5/20 0.37
MAOB P27338 5/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.35
TTR P02766 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL27852895 0.84 UNG (0.42) UNGALDH1A1SRCKDM4ETRIM24
SCHEMBL28858592 0.84 UNG (0.42) UNGALDH1A1SRCKDM4ETRIM24
SCHEMBL157163 0.80 KDM4E (0.56) UNGALDH1A1SRCKDM4ETRIM24
Hydrochloric Acid SCHEMBL3969100 0.79 KDM4E (0.54) UNGALDH1A1SRCKDM4ETRIM24
SCHEMBL2558506 0.76 UNG (0.36) UNGALDH1A1SRCKDM4ETRIM24
SCHEMBL6703144 0.73 NPC1 (0.35) UNGALDH1A1SRCKDM4ETRIM24
SCHEMBL29087600 0.73 MAOA (0.50) UNGALDH1A1SRCCYP2A6MAOA
SCHEMBL17236461 0.72 ALDH1A1 (0.48) UNGALDH1A1SRCKDM4ETRIM24
SCHEMBL23531959 0.72 ALDH1A1 (0.44) UNGALDH1A1SRCTRIM24TRIM33
SCHEMBL14983431 0.72 TDP1 (0.44) UNGALDH1A1SRCTRIM24TRIM33

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 7 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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US 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 (3 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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA UNG 3073/4885ALDH1A1 3221/4885SRC 101/4885
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 UNG 2401/4885ALDH1A1 2293/4885SRC 32/4885
US-20080234267-A1 Compounds and Methods of Treatment RET, ABL1, PRKACA UNG 3073/4885ALDH1A1 3221/4885SRC 101/4885

“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.