SCHEMBL354436

SCHEMBL354436

COC(=O)[C@H]1CCC(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC6A2 P23975 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL354893 0.89 CHRM3 (0.34) KCNN4CHRM3LMNAALDH1A1CYP1A2
SCHEMBL353649 0.77 LMNA (0.32) CHRM3LMNAMEN1KMT2A
SCHEMBL354304 0.74 DPP4 (0.30)
SCHEMBL20447644 0.69 ALDH1A1 (0.36) KCNN4CHRM3LMNAALDH1A1CYP1A2
SCHEMBL15209428 0.68 LMNA (0.36) LMNAALDH1A1
SCHEMBL9309557 0.67
SCHEMBL9707224 0.66 MAPK1 (0.31) KCNN4CYP2C19
SCHEMBL15520559 0.66 CRBN (0.34) LMNACYP1A2CYP2C19
SCHEMBL600028 0.66 MAPK1 (0.32) KCNN4CHRM3ALDH1A1CYP1A2CYP2C19
SCHEMBL30777782 0.65 PPM1B (0.37) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
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
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO 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 KCNN4 4161/4885SLC6A4 2890/4885SLC6A3 3385/4885

“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.