SCHEMBL4663952

SCHEMBL4663952

CC(C)Nc1ccccc1S(N)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.60
CA1 P00915 12/20 0.60
CA9 Q16790 4/20 0.60
CA6 P23280 3/20 0.60
CA12 O43570 2/20 0.60
CA5A P35218 2/20 0.60
CA7 P43166 2/20 0.60
CA5B Q9Y2D0 2/20 0.60
PTGES2 Q9H7Z7 6/20 0.53
CA4 P22748 2/20 0.45
CYP2C9 P11712 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL25465852 0.89 CA2 (0.56) CA2CA1CA9CA6CA12
SCHEMBL12139315 0.82 ADRA1A (0.43) CA2CA1CA9CA6CA12
SCHEMBL29932855 0.81 CA2 (0.55) CA2CA1CA9CA6CA12
SCHEMBL23135648 0.81 ADRA2A (0.47) CA2CA1CA9CA6CA12
SCHEMBL7512674 0.81 TTR (0.42) CA2CA1CA9CA6CA12
SCHEMBL7144287 0.79 CA2 (0.49) CA2CA1CA9CA6CA12
SCHEMBL30335715 0.78 CA2 (0.67) CA2CA1CA9CA6CA12
SCHEMBL3363295 0.78 CA2 (0.67) CA2CA1CA9CA6CA12
SCHEMBL25465864 0.77 CA2 (0.55) CA2CA1CA9CA6CA12
SCHEMBL1425352 0.75 CA2 (1.00) CA2CA1CA9CA6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 EP disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 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
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 (1 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-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CA2 1716/4885CA1 2516/4885CA9 605/4885

“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.