SCHEMBL4316720

SCHEMBL4316720

CCCCOC(=O)c1c(CC(C)C)sc(S(N)(=O)=O)c1-c1cccc(C(=O)Cn2ccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 19/20 0.61
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
AGTR1 P30556 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL27973544 0.85 AGTR2 (0.62) AGTR2CA12CA1CA2CA3
SCHEMBL4314856 0.83 CA12 (0.49) AGTR2CA12CA1CA2CA3
SCHEMBL1723576 0.83 AGTR2 (0.57) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL27973603 0.81 AGTR2 (0.43) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL28813223 0.78 AGTR2 (0.39) AGTR2CYP2C9CYP2B6AGTR1CA12
SCHEMBL1724215 0.77 AGTR2 (0.52) AGTR2CYP2C9CYP2B6
SCHEMBL4327781 0.77 AGTR2 (0.45) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL4313287 0.77 AGTR2 (0.48) AGTR2CYP2C9CYP2B6
SCHEMBL4310758 0.76 AGTR2 (0.49) AGTR2CYP2C9CYP2B6AGTR1
SCHEMBL4306715 0.76 AGTR2 (0.43) AGTR2CYP2C9CYP2B6

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.