SCHEMBL16503528

SCHEMBL16503528

C/C(=C\c1ccccc1)[C@@H](CC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
BTN3A1 O00481 2/20 0.36
LMNA P02545 2/20 0.35
PRNP P04156 2/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
AKR1C3 P42330 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16503516 0.78 TSHR (0.40) TSHRBTN3A1LMNAPRNPMAPT
SCHEMBL16503510 0.75 TSHR (0.44) TSHRBTN3A1LMNAPRNPMAPT
SCHEMBL16503522 0.75 TSHR (0.44) TSHRBTN3A1LMNAPRNPMAPT
SCHEMBL16503530 0.75 RECQL (0.34) TSHRBTN3A1LMNAGRIK1GRIK2
SCHEMBL16503526 0.71 TSHR (0.47) TSHRMAPTMEN1KMT2A
SCHEMBL13189758 0.68 ALDH1A1 (0.34) TSHRLMNAGRIK1GRIK2MEN1
SCHEMBL16503517 0.67 UGT2B7 (0.38) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL16503512 0.67 LMNA (0.33) TSHRLMNA
SCHEMBL14209810 0.66 PPARA (0.36) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8301377 0.65 ABCB1 (0.45) MEN1KMT2AALDH1A1L3MBTL1

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 4279/4885BTN3A1 1345/4885LMNA 1831/4885

“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.