SCHEMBL4172764

SCHEMBL4172764

CCC#CC(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 12/20 0.43
CTSS P25774 6/20 0.43
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL30393147 0.81 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL4051480 0.81 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL16810043 0.76 CTSK (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL29168072 0.76 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL8220897 0.76 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL3885197 0.75 MME (0.34) CYP2D6CYP2C19
SCHEMBL12146078 0.74 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL13631291 0.74 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL13890452 0.74 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL8098563 0.73 CA1 (0.50) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2007129019-A1 SULFONAMIDE COMPOUNDS USEFUL AS EDG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-11-15 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-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ADGRE5, ADGRF1, SELPLG CA1 1889/4885CA2 1158/4885CA7 3356/4885

“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.