SCHEMBL20992182

SCHEMBL20992182

N#Cc1ccc2c(c1)S(=O)(=O)CCC2I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL17050360 0.82 CA2 (0.38) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL17033302 0.82 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2351449 0.81 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18898952 0.79 DRD2 (0.35) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL17031845 0.78 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL19478834 0.78 SLC6A4 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL20992181 0.76 ADRA1D (0.38) GRIA2ABCC8KCNJ11
SCHEMBL21756789 0.74 SLC6A4 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL19487320 0.73 SLC6A4 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL24075854 0.72 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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
EP-4129407-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
EP-3110418-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2019-11-06 EP disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CHRNA1 4233/4885CHRNG 3992/4885CHRNB1 3847/4885

“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.