SCHEMBL6405029

SCHEMBL6405029

C[Si](C)(C)CCN1C(=O)COc2ccc(C(=O)CSCc3ccc4sccc4c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
POLB P06746 2/20 0.38
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 3/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6403017 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRMAPT
SCHEMBL6606259 0.70 CTNNB1 (0.46) MAPTKMO
SCHEMBL6607704 0.65 CTNNB1 (0.41) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL6605866 0.64 ALDH1A1 (0.57) POLBALDH1A1MAPK1TSHRHTT
SCHEMBL6398173 0.64 CTNNB1 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL6401548 0.63 CYP2A6 (0.45) MEN1KMT2A
SCHEMBL6404629 0.61 CYP2A6 (0.43) MEN1KMT2A
SCHEMBL1764005 0.61 MAPT (0.58) TP53POLBALDH1A1TSHRHTT
SCHEMBL18581011 0.60 MEN1 (0.45) TP53POLBCYP1A2CYP3A4CYP2D6
SCHEMBL18581714 0.60 KMO (0.49) TP53POLBALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 TP53 2877/4885POLB 3841/4885CBX7 4305/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 TP53 3170/4885POLB 3832/4885CBX7 4227/4885

“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.