SCHEMBL1013917

SCHEMBL1013917

C=C[C@@H]1C[C@@]1(N)C(=O)NS(=O)(=O)c1ccccc1NC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.36
▸ CA1 P00915 8/20 0.34
▸ CA2 P00918 8/20 0.34
▸ P2RX4 Q99571 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ BRS3 P32247 1/20 0.33
▸ METAP2 P50579 2/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA12 O43570 1/20 0.31
▸ TET3 O43151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FBXL19 Q6PCT2 1/20 0.31
▸ CXXC5 Q7LFL8 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ CXXC4 Q9H2H0 1/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL1013915 1.00 HTR6 (0.36) HTR6CA1CA2P2RX4P2RX7
Hydrochloric Acid SCHEMBL1017421 0.99 HTR6 (0.35) HTR6CA1CA2P2RX4P2RX7
Hydrochloric Acid SCHEMBL1017420 0.99 HTR6 (0.35) HTR6CA1CA2P2RX4P2RX7
SCHEMBL5520448 0.88 METAP2 (0.32) CA1CA2P2RX4P2RX7BRS3
SCHEMBL5520443 0.88 METAP2 (0.32) CA1CA2P2RX4P2RX7BRS3
SCHEMBL13223273 0.87 CA1 (0.42) CA1CA2CA9CA12KMT2A
SCHEMBL14277995 0.85 HTR6 (0.37) HTR6CA1CA2P2RX4P2RX7
SCHEMBL14364350 0.83 HTR6 (0.38) HTR6CA1CA2P2RX4P2RX7
SCHEMBL14278298 0.82 HTR6 (0.35) HTR6CA1CA2P2RX4P2RX7
SCHEMBL14302279 0.82 HTR6 (0.35) HTR6CA1CA2P2RX4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 — — EP disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 — — EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 — — 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 (2 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 HTR6 1155/4885CA1 2516/4885CA2 1716/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 HTR6 1155/4885CA1 2516/4885CA2 1716/4885

“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.

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