SCHEMBL866957

SCHEMBL866957

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
BACE1 P56817 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
PTPN1 P18031 2/20 0.33
CDC25B P30305 1/20 0.33
SMYD2 Q9NRG4 2/20 0.32
AKT1 P31749 1/20 0.32
APP P05067 1/20 0.32
CDC7 O00311 1/20 0.32
TSHR P16473 1/20 0.32
BUB1 O43683 1/20 0.32
SCN9A Q15858 1/20 0.31
MTAP Q13126 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
SCHEMBL19714898 0.86 SMYD2 (0.37) LMNATAAR1BCHEACHEPTPN1
SCHEMBL867717 0.81 CTSL (0.36) TAAR1BACE1BCHEACHESCN9A
SCHEMBL867716 0.81 CTSL (0.36) TAAR1BACE1BCHEACHESCN9A
SCHEMBL30959400 0.77 CYP3A4 (0.41) LMNATAAR1SMYD2TSHR
SCHEMBL866392 0.76 TAAR1 (0.34) LMNATAAR1BACE1BCHEACHE
SCHEMBL17592512 0.75 KMT2A (0.36) BACE1SMYD2TSHR
SCHEMBL30159081 0.75 TAAR1 (0.37) LMNATAAR1BCHEACHESMYD2
SCHEMBL866620 0.75 CTSL (0.36) TAAR1BACE1BCHEACHE
SCHEMBL19714856 0.75 SCN9A (0.37) TAAR1SMYD2TSHRSCN9AMTAP
SCHEMBL9309459 0.74 SMYD2 (0.42) BACE1SMYD2

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 LMNA 3283/4885TAAR1 3888/4885BACE1 1158/4885

“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.