Sugi Predict

Sugi Predict / Compounds / SCHEMBL244527

SCHEMBL244527

SCHEMBL244527

NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3nc(N[C@H](CO)Cc4ccccc4)c4ncn([C@@H]5C[C@H](NC(=O)CO)[C@@H](O)[C@H]5O)c4n3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 10/20 0.43
▸ CA1 P00915 10/20 0.43
▸ CA2 P00918 10/20 0.43
▸ CA4 P22748 10/20 0.43
▸ CA7 P43166 10/20 0.43
▸ CA9 Q16790 10/20 0.43
▸ ADORA2A P29274 5/20 0.42
▸ TRPV1 Q8NER1 2/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA1 P30542 1/20 0.37

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
SCHEMBL244528 1.00 CA12 (0.43) CA12CA1CA2CA4CA7
SCHEMBL13780027 0.93 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL10158632 0.91 ADORA2A (0.48) ADORA2AADORA3ADORA1
SCHEMBL240134 0.88 ADORA2A (0.42) ADORA2AADORA3ADORA1
SCHEMBL1833183 0.88 ADORA2A (0.42) ADORA2AADORA3ADORA1
SCHEMBL240135 0.88 ADORA2A (0.42) ADORA2AADORA3ADORA1
SCHEMBL2806981 0.88 ADORA2A (0.44) CA12CA1CA2CA4CA7
SCHEMBL2806968 0.88 ADORA2A (0.44) CA12CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL242812 0.88 ADORA2A (0.46) CA12CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL242811 0.88 ADORA2A (0.46) CA12CA1CA2CA4CA7

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-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 — — US claimed
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
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 — — 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 (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-20090181934-A1 Organic Compounds LTB4R2, LTA4H, LTB4R CA12 1144/4885CA1 635/4885CA2 469/4885
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.