SCHEMBL354435

SCHEMBL354435

COC(=O)[C@H]1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.36
CYP3A4 P08684 2/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TSHR P16473 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
SCHEMBL354434 1.00 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2SLC6A4
SCHEMBL354892 0.89 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2CYP2C9
SCHEMBL10237481 0.89 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2CYP2C9
SCHEMBL13866341 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL353648 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL25331527 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2MEN1
SCHEMBL8936584 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2MEN1
SCHEMBL8936625 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2MEN1
SCHEMBL14072251 0.79 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PSEN1
SCHEMBL13866342 0.79 NPC1 (0.44) CYP3A4SMN1; SMN2MEN1KMT2ACYP1A2

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA SMYD2 238/4885CYP3A4 1232/4885HTT 1843/4885

“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.