SCHEMBL3584022

SCHEMBL3584022

CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.41
LIG1 P18858 1/20 0.41
PTGER2 P43116 2/20 0.41
PTGDR Q13258 2/20 0.41
PTGER3 P43115 1/20 0.41
DAO P14920 6/20 0.41
NR4A2 P43354 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BACE1 P56817 1/20 0.36
HPGDS O60760 1/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3585436 0.88 MRGPRX4 (0.49) MRGPRX4TP53PKMHDAC4HDAC6
SCHEMBL5340854 0.88 LMNA (0.45) MRGPRX4PTGER2PTGDRPTGER3HDAC4
SCHEMBL6979862 0.85 TP53 (0.40) MRGPRX4TP53PKMLIG1PTGER2
SCHEMBL163740 0.81 MAPT (0.40) BACE1HPGDL3MBTL1MAPTALDH1A1
SCHEMBL3147053 0.79 BACE1 (0.34) MRGPRX4HDAC4HDAC6BACE1
SCHEMBL3314628 0.78 MRGPRX4 (0.45) MRGPRX4TP53PKMLIG1PTGER2
SCHEMBL3147047 0.78 F2 (0.32) HPGDATMALDH1A1
SCHEMBL5343981 0.78
SCHEMBL3128598 0.78 F2 (0.32) HPGDATMALDH1A1
SCHEMBL22572473 0.77 ADRA2C (0.40) BACE1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
EP-2019827-A1 INTEGRASE INHIBITORS 3 Avexa Limited (AU) 2009-02-04 EP disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 MRGPRX4 3732/4885TP53 1213/4885PKM 2377/4885

“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.