SCHEMBL358309

SCHEMBL358309

CN1CC[C@@H](NC(=O)Nc2cccc(S(N)(=O)=O)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 18/20 0.66
CA1 P00915 18/20 0.66
CA2 P00918 18/20 0.66
CA9 Q16790 18/20 0.66
CA4 P22748 9/20 0.66
CA7 P43166 9/20 0.66
TRPV1 Q8NER1 1/20 0.59
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL12084919 1.00 CA12 (0.66) CA12CA1CA2CA9CA4
SCHEMBL14045986 0.88 CA1 (0.52) CA12CA1CA2CA9CA4
SCHEMBL359836 0.86 CA12 (0.66) CA12CA1CA2CA9CA4
SCHEMBL12084865 0.86 CA12 (0.66) CA12CA1CA2CA9CA4
SCHEMBL13700909 0.82 CA1 (0.47) CA12CA1CA2CA9CA4
SCHEMBL1912322 0.82 EPHX2 (0.50)
SCHEMBL1908807 0.81 CA12 (0.55) CA12CA1CA2CA9CA4
SCHEMBL243497 0.81 KMT2A (0.62) CA12CA1CA2CA9CA4
SCHEMBL243498 0.81 KMT2A (0.62) CA12CA1CA2CA9CA4
SCHEMBL356730 0.80 CTSL (0.65)

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 17 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-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
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 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-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-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
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US 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 (4 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 CA12 1400/4885CA1 3204/4885CA2 2138/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA12 1400/4885CA1 3204/4885CA2 2138/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 CA12 1703/4885CA1 2550/4885CA2 1844/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA12 1400/4885CA1 3204/4885CA2 2138/4885

“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.