SCHEMBL16503526

SCHEMBL16503526

CC(C)OC(=O)C[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MMP12 P39900 2/20 0.41
PRSS1 P07477 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 1/20 0.36
MAPT P10636 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
SCHEMBL16414460 0.79 MMP12 (0.38) TSHRMMP12PRSS1CTSGCTRB1
SCHEMBL16414506 0.79 MMP12 (0.38) TSHRMMP12PRSS1CTSGCTRB1
SCHEMBL16414459 0.79 MMP12 (0.38) TSHRMMP12PRSS1CTSGCTRB1
SCHEMBL5855412 0.78 TDP1 (0.39) TSHRMMP12PRSS1CTSGCTRB1
SCHEMBL5855399 0.78 TDP1 (0.39) TSHRMMP12PRSS1CTSGCTRB1
SCHEMBL17460916 0.77 PRSS1 (0.36) MMP12PRSS1SMN1; SMN2CTSGCTRB1
SCHEMBL6139453 0.77 PRSS1 (0.36) MMP12PRSS1SMN1; SMN2CTSGCTRB1
SCHEMBL16503510 0.77 TSHR (0.44) TSHRKMT2AMEN1HTTHPGD
SCHEMBL16503522 0.77 TSHR (0.44) TSHRKMT2AMEN1HTTHPGD
SCHEMBL14016225 0.77 TSHR (0.54) TSHRMMP12PRSS1F2F10

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-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 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-20110313150-A1 CHIRAL DISULFONIMIDES STS, SUDS3, SF1 TSHR 4279/4885MMP12 4442/4885PRSS1 1540/4885

“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.