SCHEMBL4310758

SCHEMBL4310758

CCCCOC(=O)c1c(CC(C)C)sc(S(N)(=O)=O)c1-c1cccc(Cn2ccnc2CCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 19/20 0.49
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
HDAC1 Q13547 1/20 0.40
AGTR1 P30556 1/20 0.39

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
SCHEMBL4313287 0.95 AGTR2 (0.48) AGTR2CYP2C9CYP2B6
SCHEMBL1724215 0.91 AGTR2 (0.52) AGTR2CYP2C9CYP2B6
SCHEMBL4327781 0.91 AGTR2 (0.45) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL27973726 0.90 AGTR2 (0.44) AGTR2CYP2C9CYP2B6
SCHEMBL4306715 0.90 AGTR2 (0.43) AGTR2CYP2C9CYP2B6
SCHEMBL27973576 0.87 AGTR2 (0.42) AGTR2CYP2C9CYP2B6
SCHEMBL27973544 0.85 AGTR2 (0.62) AGTR2
SCHEMBL1724924 0.84 AGTR2 (0.54) AGTR2CYP2C9CYP2B6
SCHEMBL28813223 0.79 AGTR2 (0.39) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL1719714 0.76 AGTR2 (0.81) AGTR2CYP2C9CYP2B6AGTR1

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-8080571-B2 Tricyclic angiotensin II agonists VICORE PHARMA AB (SE) 2011-12-20 US disclosed
US-20090042931-A1 Tricyclic Angiotensin II Agonists VICORE PHARMA AB (SE) 2009-02-12 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-20090042931-A1 Tricyclic Angiotensin II Agonists AGTR2, AGTR1, NPY4R AGTR2 1/4885CYP2C9 1127/4885CYP2B6 1203/4885

“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.