SCHEMBL21756789

SCHEMBL21756789

CCC(C)(C)C1CCS(=O)(=O)c2cc(C#N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.33
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
TRPV4 Q9HBA0 1/20 0.30
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30

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
SCHEMBL19487320 0.91 SLC6A4 (0.33) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17031845 0.87 CHRNA1 (0.33) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL19478834 0.79 SLC6A4 (0.36) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17033302 0.77 CHRNA1 (0.36) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL18898952 0.75 DRD2 (0.35) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17050360 0.74 CA2 (0.38) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20992182 0.74 CHRNA1 (0.36) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2351449 0.73 CHRNA1 (0.35) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20671092 0.73 ADRA1D (0.41)
SCHEMBL19234729 0.69 CA1 (0.38)

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-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 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-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 SLC6A4 3876/4885CHRNA1 3525/4885CHRNG 2314/4885

“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.