SCHEMBL2516616

SCHEMBL2516616

O=C(c1ccc(B(O)O)cc1F)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 3/20 0.54
HPGD P15428 4/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.46
CNR1 P21554 3/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29951438 0.98 CPS1 (0.52) CPS1HPGDUSP2LMNACNR1
SCHEMBL29952444 0.88 TSHR (0.55) CPS1HPGDUSP2LMNACNR1
SCHEMBL951604 0.87 MAPT (0.55) CPS1CNR1TSHRKDM4EMEN1
SCHEMBL29951371 0.86 TSHR (0.57) CPS1HPGDUSP2LMNACNR1
SCHEMBL9886019 0.85 CPS1 (0.46) CPS1HPGDTSHRKDM4EMEN1
SCHEMBL29955460 0.81 HPGD (0.53) HPGDUSP2LMNATSHRMEN1
SCHEMBL951383 0.80 CNR1 (0.42) CPS1HPGDCNR1KDM4EKCNH2
SCHEMBL17404610 0.80 CPS1 (0.50) CPS1LMNAMEN1KMT2A
SCHEMBL29952513 0.80 HPGD (0.55) HPGDUSP2LMNATSHRMEN1
SCHEMBL29816274 0.79 CNR1 (0.63) CPS1HPGDUSP2CNR1TSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9359311-B2 Substituted aromatic oligomers NEUROSCIOS GMBH (AT) 2016-06-07 US disclosed
EP-2817304-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BioChromix NewCo AB (SE) 2014-12-31 EP disclosed
US-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB 2014-05-15 US disclosed
WO-2013036196-A1 NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2013-03-14 WO disclosed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 WO disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 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-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY PRNP, TBCA, HSPA5 CPS1 112/4885HPGD 4032/4885USP2 2608/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 CPS1 2892/4885HPGD 3452/4885USP2 2235/4885

“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.