SCHEMBL20133064

SCHEMBL20133064

CCCOCCCS(=O)(=O)CCN

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.35
CA1 P00915 11/20 0.35
CA9 Q16790 8/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 2/20 0.31
CES2 O00748 1/20 0.30
FAAH O00519 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
SCHEMBL20128689 0.77
SCHEMBL5442905 0.77 MEN1 (0.50) CA2CA1CA9HTTCA12
SCHEMBL21708223 0.77 CA2 (0.44) CA2CA1CA9CA12CA7
SCHEMBL10693136 0.77 MEN1 (0.50) CA2CA1CA9HTTCA12
SCHEMBL4359971 0.75 CA2 (0.40) CA2CA1CA9CA12CA7
SCHEMBL27038942 0.73 ALDH1A1 (0.38) CA2HTTTSHRCES2FAAH
SCHEMBL20372670 0.73 ALDH1A1 (0.32) TSHR
SCHEMBL238386 0.73
SCHEMBL3620526 0.73
SCHEMBL10323403 0.72 FAAH (0.54) CA2CA1CA9HTTTSHR

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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 CA2 3308/4885CA1 1625/4885CA9 3634/4885

“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.