SCHEMBL3793010

SCHEMBL3793010

Nc1ccc(B(O)OC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 6/20 0.34
PARP10 Q53GL7 1/20 0.34
CYP3A4 P08684 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
MAOA P21397 2/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 3/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MASP2 O00187 1/20 0.32
PLAU P00749 1/20 0.32
THPO P40225 1/20 0.32
ALDH1A1 P00352 5/20 0.32
THRB P10828 3/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL1672441 0.80 ORAI1 (0.46) TSHRLMNAALDH1A1ALOX15CA6
SCHEMBL3470948 0.79 TSHR (0.50) TSHRALDH1A1ALOX15CA3CA6
SCHEMBL2352991 0.79 CA2 (0.48) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL14645353 0.76 CA1 (0.55) RAB9APARP10THRBCA14NPC1
SCHEMBL5276490 0.75 LPL (0.53) RAB9AKMT2ALMNAALDH1A1HSD17B10
SCHEMBL19894002 0.74 ELANE (0.37) RAB9ATSHRMAPTCYP3A4LMNA
SCHEMBL5926479 0.71 TDP1 (0.42) TSHRMAPTCYP3A4MEN1KMT2A
SCHEMBL56273 0.68 ORAI1 (0.42) RAB9ATSHRMAPTPARP10CYP3A4
Bicarbonate SCHEMBL10433540 0.68 MAPT (0.61) KDM4ERAB9ATSHRMAPTPARP10
Bicarbonate SCHEMBL11010145 0.68 MAPT (0.61) KDM4ERAB9ATSHRMAPTPARP10

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 487/4885RAB9A 924/4885TSHR 3708/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B KDM4E 487/4885RAB9A 924/4885TSHR 3708/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B KDM4E 487/4885RAB9A 924/4885TSHR 3708/4885

“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.