SCHEMBL866620

SCHEMBL866620

CC(C)(C)[Si](O[C@@H]1CC(CC#N)C[C@H]1COCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
BACE1 P56817 1/20 0.35
NAAA Q02083 1/20 0.34
CHRM3 P20309 1/20 0.32
GHSR Q92847 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
AGTR2 P50052 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
SCHEMBL868115 0.80 BACE1 (0.31) BACE1
SCHEMBL868116 0.80 BACE1 (0.31) BACE1
SCHEMBL867110 0.79 CTSL (0.31) CTSLCTSBCTSKBACE1
SCHEMBL867111 0.79 CTSL (0.31) CTSLCTSBCTSKBACE1
SCHEMBL867716 0.77 CTSL (0.36) CTSLCTSBCTSKBACE1NAAA
SCHEMBL867717 0.77 CTSL (0.36) CTSLCTSBCTSKBACE1NAAA
SCHEMBL21828106 0.77 BACE1 (0.41) BACE1
SCHEMBL866298 0.77 TAAR1 (0.32) TAAR1
SCHEMBL866957 0.75 LMNA (0.36) BACE1TAAR1BCHEACHE
SCHEMBL16749826 0.74 SMYD2 (0.35) BACE1

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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 CTSL 3030/4885CTSB 2522/4885CTSK 2524/4885

“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.