SCHEMBL5113464

SCHEMBL5113464

CC(NC(=O)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LIPG Q9Y5X9 3/20 0.40
LPL P06858 2/20 0.40
HPGD P15428 2/20 0.38
P4HB P07237 1/20 0.38
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HIF1A Q16665 1/20 0.36
MTOR P42345 1/20 0.36
THRB P10828 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 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
SCHEMBL27181083 1.00 ALDH1A1 (0.40) ALDH1A1LIPGLPLHPGDP4HB
SCHEMBL3882009 0.89 LIPG (0.40) ALDH1A1LIPGLPLP4HB
SCHEMBL3882012 0.89 LIPG (0.40) ALDH1A1LIPGLPLP4HB
SCHEMBL29723680 0.85 LIPG (0.41) ALDH1A1LIPGLPLLMNAPOLB
SCHEMBL16397301 0.83 LIPG (0.40) LIPGLPLP4HBHIF1APDGFRB
SCHEMBL1986515 0.83 LIPG (0.38) LIPGLPLP4HBHIF1APDGFRB
SCHEMBL3113487 0.83 LIPG (0.46) ALDH1A1LIPGLPLHPGDP4HB
SCHEMBL21405484 0.83 LIPG (0.46) ALDH1A1LIPGLPLHPGDP4HB
SCHEMBL2562020 0.83 LIPG (0.46) ALDH1A1LIPGLPLHPGDP4HB
SCHEMBL5106944 0.83 AAK1 (0.48) LIPGLPLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 US disclosed
EP-3687506-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2020-08-05 EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-1833836-B1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2011-12-21 EP disclosed
US-7456194-B2 Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1833836-A1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Brystol-Myers Squibb Company (US) 2007-09-19 EP disclosed
WO-2006053120-A1 IMIDAZO-FUSED THIAZOLO[4,5-b]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed
US-20060106051-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-05-18 US 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-20060106051-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 ALDH1A1 688/4885LIPG 4831/4885LPL 4541/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB ALDH1A1 1468/4885LIPG 688/4885LPL 1453/4885
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, UTS2R ALDH1A1 2124/4885LIPG 4180/4885LPL 4075/4885

“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.