SCHEMBL5516628

SCHEMBL5516628

CC[C@H](NC(=O)[C@@H](N)C[Si](C)(C)C)C(O)c1nc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5526913 0.92 NPC1 (0.37) TSHRNPC1RAB9AL3MBTL1HDAC3
Hydrochloric Acid SCHEMBL5946048 0.87 HDAC3 (0.40) TSHRNPC1RAB9AL3MBTL1HDAC3
SCHEMBL5475660 0.84 TSHR (0.35) TSHRNPC1RAB9AL3MBTL1HDAC3
SCHEMBL5475666 0.84 TSHR (0.35) TSHRNPC1RAB9AL3MBTL1HDAC3
Hydrochloric Acid SCHEMBL5946008 0.83 CTSS (0.42) NPC1RAB9ACTSC
SCHEMBL14974258 0.83 PTPN2 (0.41) TSHRNPC1RAB9AL3MBTL1HDAC3
SCHEMBL6206918 0.83 METAP2 (0.40) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5946157 0.82 ALDH1A1 (0.39) TSHRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5946146 0.81 ALDH1A1 (0.39) TSHRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5946155 0.81 ALDH1A1 (0.39) TSHRHDAC3HDAC4HDAC1HDAC7

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 1 patent. 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

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 TSHR 4821/4885NPC1 689/4885RAB9A 1089/4885

“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.