SCHEMBL5514129

SCHEMBL5514129

CCOC(=O)C(C[Si](C)(C)C)NC(=O)c1cccc(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
GRM5 P41594 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
CYP26A1 O43174 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53BP1 Q12888 1/20 0.40
P2RY12 Q9H244 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE5A O76074 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
MTOR P42345 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL5514133 1.00 HDAC1 (0.44) HDAC1HDAC2GRM5TAS1R3TAS1R1
SCHEMBL5516526 0.85 HDAC1 (0.45) HDAC1HDAC2GRM5TP53BP1MYC
SCHEMBL5516521 0.85 HDAC1 (0.45) HDAC1HDAC2GRM5TP53BP1MYC
SCHEMBL5520763 0.82 HDAC1 (0.50) HDAC1HDAC2GRM5TAS1R3TAS1R1
SCHEMBL28088739 0.75 GPR132 (0.52) HDAC1HDAC2GRM5TAS1R3TAS1R1
SCHEMBL26263203 0.75 GPR132 (0.52) HDAC1HDAC2GRM5TAS1R3TAS1R1
SCHEMBL12574370 0.75 TAS1R3 (0.47) TAS1R3TAS1R1CYP26A1KDM4EALDH1A1
SCHEMBL17680606 0.74 NPSR1 (0.59) HDAC1HDAC2GRM5TP53BP1HPGD
SCHEMBL5520013 0.74 CTSL (0.57)
SCHEMBL5520008 0.74 CTSL (0.57)

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-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 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-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS HDAC1 558/4885HDAC2 680/4885GRM5 4265/4885

“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.