SCHEMBL12424331

SCHEMBL12424331

CCC1CCC(NS(C)(=O)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
INPP5A Q14642 1/20 0.33
HTT P42858 1/20 0.32
DRD2 P14416 8/20 0.32
HTR2A P28223 8/20 0.32
DRD3 P35462 8/20 0.32
G6PD P11413 3/20 0.32
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL23119128 0.89 CA1 (0.33) CA12CA7CA14G6PD
SCHEMBL17723319 0.89 CA1 (0.33) CA12CA7CA14G6PD
SCHEMBL17723335 0.89 CA1 (0.33) CA12CA7CA14G6PD
SCHEMBL8201280 0.88 CA12 (0.42) CA12CA7CA14HTTDRD2
SCHEMBL15014471 0.88 CA12 (0.42) CA12CA7CA14HTTDRD2
SCHEMBL8294594 0.88 CA12 (0.42) CA12CA7CA14HTTDRD2
SCHEMBL24659043 0.85 KAT8 (0.32)
SCHEMBL25011506 0.85 KAT8 (0.32)
SCHEMBL12555215 0.81 JAK2 (0.36) CA12CA7CA14INPP5AHTT
SCHEMBL17778085 0.76 KCNH2 (0.35) CA12CA7CA14G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 CA12 2341/4885CA7 1763/4885CA14 2378/4885

“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.