SCHEMBL242792

SCHEMBL242792

COS(=O)(=O)OC(C(=O)O)n1cnc(CCN)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CPB2 Q96IY4 17/20 0.35
CPB1 P15086 8/20 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
SCHEMBL243167 0.81 CPB2 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1402037 0.67 CYP2C9 (0.58) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL3855530 0.66 TDP1 (0.59) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1402017 0.65 CYP2C9 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
Sulfuric Acid SCHEMBL242791 0.64 CYP2C9 (0.43) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL5294922 0.63 CYP2C9 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27747749 0.62 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
Oxalic Acid SCHEMBL4079200 0.62 CPB2 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL8772961 0.62 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27493546 0.61 CYP2C9 (0.53) CYP2C9TSHRCYP2C19MTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 CYP2C9 7/4885TSHR 1199/4885CYP2C19 3/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CYP2C9 7/4885TSHR 1199/4885CYP2C19 3/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CYP2C9 7/4885TSHR 1199/4885CYP2C19 3/4885

“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.