SCHEMBL3928633

SCHEMBL3928633

C[Si](C)(C)CCN1C(=O)CN(c2ccc(Cc3ncccc3O)cc2OCc2ccccc2)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAOB P27338 2/20 0.31
KDM4E B2RXH2 2/20 0.31
PTGER1 P34995 2/20 0.31
ACHE P22303 1/20 0.31
LRRK2 Q5S007 3/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL647136 0.88 CHRNA7 (0.34) CYP19A1CYP11B1CYP11B2PTGER1ACHE
SCHEMBL646235 0.85 PTGER1 (0.35) CYP19A1CYP11B1CYP11B2MAOBPTGER1
SCHEMBL646575 0.85 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2KDM4EPTGER1
SCHEMBL3927311 0.85 CYP19A1 (0.36) CYP19A1CYP11B1CYP11B2MAOBKDM4E
SCHEMBL647168 0.84 CHRNA7 (0.34) CYP19A1CYP11B1CYP11B2ACHEALDH1A1
SCHEMBL646608 0.84 ACHE (0.33) CYP19A1CYP11B1CYP11B2PTGER1ACHE
SCHEMBL648847 0.83 PTGER1 (0.33) CYP19A1CYP11B1CYP11B2PTGER1ALDH1A1
SCHEMBL3918925 0.83 CHRNA7 (0.33) CYP19A1CYP11B1CYP11B2PTGER1ALDH1A1
SCHEMBL3920272 0.82 FFAR4 (0.46) PTGER1MTNR1AMTNR1B
SCHEMBL649516 0.82 MTNR1A (0.35) CYP19A1CYP11B1CYP11B2ACHEALDH1A1

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-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
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC CYP19A1 1354/4885CYP11B1 1623/4885CYP11B2 1180/4885

“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.