SCHEMBL20992181

SCHEMBL20992181

O=S1(=O)CCC(I)c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 13/20 0.38
GRIA1 P42261 4/20 0.36
GRIA2 P42262 4/20 0.36
GRIA3 P42263 4/20 0.36
GRIA4 P48058 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ADRA1A P35348 5/20 0.34
ADRA1B P35368 4/20 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33

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
SCHEMBL20992167 0.87 ADRA1D (0.46) ADRA1DGRIA1GRIA2GRIA3GRIA4
SCHEMBL17033306 0.80 CA1 (0.45) ADRA1DGRIA1GRIA2GRIA3GRIA4
SCHEMBL17050353 0.80 CA2 (0.40) ADRA1DGRIA1GRIA2GRIA3GRIA4
SCHEMBL2355589 0.79 ADRA1D (0.40) ADRA1DGRIA1GRIA2GRIA3GRIA4
SCHEMBL17031835 0.78 ADRA1D (0.39) ADRA1DGRIA1GRIA2GRIA3GRIA4
SCHEMBL20992182 0.76 CHRNA1 (0.36) GRIA2ABCC8KCNJ11
SCHEMBL20671092 0.72 ADRA1D (0.41) ADRA1DGRIA1GRIA2GRIA3GRIA4
SCHEMBL17050355 0.70 ADRA1D (0.46) ADRA1DCA1CA2ADRA1AADRA1B
SCHEMBL17033295 0.70 CA1 (0.56) ADRA1DCA1CA2ADRA1AADRA1B
SCHEMBL2355322 0.69 ADRA1D (0.45) ADRA1DGRIA1GRIA2GRIA3GRIA4

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 ADRA1D 199/4885GRIA1 3542/4885GRIA2 3130/4885

“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.