SCHEMBL4548393

SCHEMBL4548393

CC(C)(C)[Si](C)(C)OC(=O)CCc1cn2c(n1)sc1cc(O[Si](C)(C)C(C)(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.42
CYP2C9 P11712 3/20 0.41
MAPT P10636 5/20 0.39
TP53 P04637 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APP P05067 2/20 0.37
FLT3 P36888 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
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
SCHEMBL10312526 0.88 HCAR2 (0.43) HCAR2CYP2C9MAPTTP53LMNA
SCHEMBL4548397 0.79 HCAR2 (0.60) HCAR2CYP2C9LMNAFLT3RXFP1
SCHEMBL4548367 0.72 CA12 (0.47) HCAR2MAPTTP53LMNARAB9A
SCHEMBL14349881 0.66 HCAR2 (0.67) HCAR2CYP2C9MAPTTP53LMNA
SCHEMBL14349880 0.66 HCAR2 (0.78) HCAR2CYP2C9MAPTTP53LMNA
SCHEMBL20518789 0.63 MAPT (0.45) MAPTTP53RAB9ASMN1; SMN2TDP1
SCHEMBL14562252 0.63 CYP2C9 (0.44) CYP2C9TSHRTDP1
SCHEMBL20518791 0.63 THRB (0.48) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL13654185 0.62 CA12 (0.47)
SCHEMBL1390820 0.62 CA12 (0.47)

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-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885CYP2C9 1081/4885MAPT 2721/4885

“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.