SCHEMBL14201600

SCHEMBL14201600

Nc1nc(F)nc2c1ncn2C1OC(COS(N)(=O)=O)C(O)C1O

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.78
CA2 P00918 1/20 0.78
CA4 P22748 1/20 0.78
CA9 Q16790 1/20 0.78
CA5A P35218 1/20 0.74
NT5E P21589 3/20 0.72
LMNA P02545 1/20 0.72
HIF1A Q16665 1/20 0.72
DNMT1 P26358 1/20 0.59
DNMT3B Q9UBC3 1/20 0.59
ADORA3 P0DMS8 6/20 0.58
ADORA2A P29274 3/20 0.57
ADORA2B P29275 2/20 0.57
ADORA1 P30542 2/20 0.57
SARS1 P49591 2/20 0.56
RXFP1 Q9HBX9 1/20 0.55
HINT1 P49773 1/20 0.55

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
SCHEMBL18630526 0.90 CA1 (0.81) CA1CA2CA4CA9CA5A
SCHEMBL14201599 0.88 CA1 (1.00) CA1CA2CA4CA9NT5E
SCHEMBL29737838 0.88 CA1 (1.00) CA1CA2CA4CA9NT5E
SCHEMBL10619733 0.88 CA1 (0.78) CA1CA2CA4CA9CA5A
SCHEMBL2489474 0.88 CA1 (1.00) CA1CA2CA4CA9NT5E
SCHEMBL2489469 0.88 CA1 (1.00) CA1CA2CA4CA9NT5E
SCHEMBL17304721 0.87 CA5A (0.78) CA1CA2CA4CA9CA5A
SCHEMBL27544578 0.87 CA5A (0.78) CA1CA2CA4CA9CA5A
SCHEMBL4457021 0.86 ADORA3 (0.77) CA1CA2CA4CA9CA5A
SCHEMBL16366029 0.86 ADORA3 (0.77) CA1CA2CA4CA9CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 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 (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-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 CA1 4466/4885CA2 4557/4885CA4 4758/4885

“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.