SCHEMBL20730475

SCHEMBL20730475

Cc1cccc2c1S(=O)(=O)CC[C@@H]2C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 6/20 0.34
ACHE P22303 1/20 0.34
GALR1 P47211 1/20 0.34
FAAH O00519 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ADRA1D P25100 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
SCHEMBL17033314 1.00 CA1 (0.55) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL20992166 0.81 CA1 (0.43) CA1CA2ALDH1A1HTR2CGALR1
SCHEMBL17050161 0.81 CA2 (0.43) CA1CA2ALDH1A1HTR2CACHE
SCHEMBL21134648 0.79 CA1 (0.41) CA1CA2ALDH1A1HTR2CFAAH
SCHEMBL17031837 0.79 CA1 (0.41) CA1CA2ALDH1A1HTR2CFAAH
SCHEMBL19234729 0.75 CA1 (0.38) CA1CA2HTR2C
SCHEMBL20878311 0.74 CA1 (0.38) CA1CA2HTR2CADRA1D
SCHEMBL24090474 0.73 ADRA1D (0.38) CA1CA2ALDH1A1ADRA1D
SCHEMBL12900511 0.73 ADRA1D (0.38) CA1CA2ALDH1A1ADRA1D
SCHEMBL12651546 0.73 ADRA1D (0.38) CA1CA2ALDH1A1ADRA1D

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-10550140-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-02-14 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 (2 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-10550140-B2 Ether compounds for treatment of complement mediated disorders TFPI, CFD, C9 CA1 3111/4885CA2 4172/4885ALDH1A1 2728/4885
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 CA1 3111/4885CA2 4172/4885ALDH1A1 2728/4885

“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.