SCHEMBL4315071

SCHEMBL4315071

CC(C)(C)OC(=O)C(N)Cc1ccc(N2CC(=O)N(CC[Si](C)(C)C)S2(=O)=O)c(OCc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
SLC7A5 Q01650 1/20 0.35
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
YAP1 P46937 2/20 0.32
OPRK1 P41145 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
ELANE P08246 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTGER1 P34995 1/20 0.31
TYR P14679 1/20 0.31
GHSR Q92847 3/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC1A5 Q15758 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30
KLK7 P49862 1/20 0.30

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
SCHEMBL3920744 1.00 LTA4H (0.36) LTA4HSLC7A5TLR9TLR7MTNR1A
SCHEMBL3926955 0.90 YAP1 (0.38) YAP1
SCHEMBL4303470 0.90 YAP1 (0.38) YAP1
SCHEMBL4308550 0.88 KLK7 (0.39) YAP1KLK7KLK5
SCHEMBL3920822 0.88 KLK7 (0.39) YAP1KLK7KLK5
SCHEMBL4310760 0.87 ATM (0.40) CYP2C9PTGER1KLK7KLK5
SCHEMBL4307458 0.86 TACR1 (0.35) LTA4HCYP19A1CYP11B1CYP11B2
SCHEMBL4307461 0.86 TACR1 (0.35) LTA4HCYP19A1CYP11B1CYP11B2
SCHEMBL4307454 0.86 TACR1 (0.35) LTA4HCYP19A1CYP11B1CYP11B2
SCHEMBL3928325 0.86 BCL2 (0.37) YAP1

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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC LTA4H 1254/4885SLC7A5 1763/4885TLR9 445/4885

“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.