SCHEMBL358715

SCHEMBL358715

Cn1cnc(NC(=O)Nc2cccc(S(N)(=O)=O)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.60
CA2 P00918 17/20 0.60
CA12 O43570 15/20 0.60
CA9 Q16790 15/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 2/20 0.58
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
CA4 P22748 2/20 0.51
CA7 P43166 2/20 0.51

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
SCHEMBL360975 0.85 KMT2A (0.60) CA1CA2CA12CA9CA4
SCHEMBL359926 0.81 CA12 (0.60) CA1CA2CA12CA9MAPT
SCHEMBL358411 0.78 CA12 (0.63) CA1CA2CA12CA9MAPT
SCHEMBL1395590 0.76 CA1 (1.00) CA1CA2CA12CA9MAPT
SCHEMBL18937497 0.75 POLB (0.86) CA1CA2CA12CA9MAPT
SCHEMBL14289838 0.75 CA1 (0.74) CA1CA2CA12CA9MAPT
SCHEMBL18937599 0.74 POLB (0.79) CA1CA2CA12CA9MAPT
SCHEMBL672935 0.72 CA1 (1.00) CA1CA2CA12CA9MAPT
SCHEMBL7495027 0.72 CA1 (0.69) CA1CA2CA12CA9MAPT
SCHEMBL672734 0.71 CA2 (1.00) CA1CA2CA12CA9MAPT

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-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
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
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

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 CA1 3204/4885CA2 2138/4885CA12 1400/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA1 3204/4885CA2 2138/4885CA12 1400/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA1 3204/4885CA2 2138/4885CA12 1400/4885

“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.