SCHEMBL3793008

SCHEMBL3793008

Nc1ccc(B(O)O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
ALDH1A1 P00352 4/20 0.57
THRB P10828 3/20 0.57
CYP3A4 P08684 3/20 0.57
HSD17B10 Q99714 3/20 0.57
RECQL P46063 2/20 0.57
MCL1 Q07820 2/20 0.57
ALOX15 P16050 2/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57
BLM P54132 1/20 0.57
TNF P01375 1/20 0.57

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
SCHEMBL31555481 0.79 GAA (0.59) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL713768 0.79 KDM4E (0.65) KDM4EKMT2AMAPTMEN1TDP1
SCHEMBL6740754 0.78 MAPT (0.38) KDM4EKMT2AMAPTMEN1TDP1
SCHEMBL9937971 0.78 ALDH1A1 (0.61) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL2352988 0.78 CSNK2A1 (0.59) KDM4EKMT2AMEN1ALDH1A1MCL1
SCHEMBL31300453 0.77 KDM4E (0.63) KDM4EKMT2AMAPTMEN1TDP1
Ammonia Solution, Strong SCHEMBL5267316 0.77 KDM4E (0.63) KDM4EKMT2AMAPTMEN1TDP1
Hydrochloric Acid SCHEMBL8956634 0.77 KMT2A (0.69) KDM4EKMT2AMAPTMEN1TDP1
Water SCHEMBL28033077 0.77 KDM4E (0.63) KDM4EKMT2AMAPTMEN1TDP1
SCHEMBL29364937 0.76 ALDH1A1 (0.68) KDM4EKMT2AMAPTMEN1TDP1

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 EP disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B KDM4E 487/4885KMT2A 1434/4885MAPT 1932/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B KDM4E 487/4885KMT2A 1434/4885MAPT 1932/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B KDM4E 487/4885KMT2A 1434/4885MAPT 1932/4885

“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.