SCHEMBL516800

SCHEMBL516800

CC(C)(C)[Si](OC1CCN(C(=O)O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BACE1 P56817 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RBP4 P02753 1/20 0.38
GAA P10253 1/20 0.38
CHRM3 P20309 3/20 0.37
ACHE P22303 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL30065370 0.92 MEN1 (0.38) MEN1KMT2ABACE1GPR119RBP4
SCHEMBL14945259 0.89 MEN1 (0.38) MEN1KMT2ABACE1GPR119RBP4
SCHEMBL15032343 0.87 GPR119 (0.55) MEN1KMT2AGPR119GAASMN1; SMN2
SCHEMBL517028 0.86 RBP4 (0.38) MEN1KMT2ABACE1RBP4GAA
SCHEMBL29051803 0.84 MEN1 (0.36) MEN1KMT2ABACE1GPR119RBP4
SCHEMBL29052240 0.84 MEN1 (0.36) MEN1KMT2ABACE1GPR119RBP4
SCHEMBL29051800 0.84 MEN1 (0.36) MEN1KMT2ABACE1GPR119RBP4
SCHEMBL20744142 0.84 POLB (0.39) MEN1KMT2ACHRM1ALDH1A1HPGD
SCHEMBL15603256 0.82 RIPK1 (0.36) MEN1KMT2ABACE1CHRM3ACHE
SCHEMBL30468471 0.82 GRM5 (0.43) MEN1KMT2AGPR119RBP4ALDH1A1

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-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-8470811-B2 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-25 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 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 (3 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-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof HIF1AN, VHL, HIF1A MEN1 1887/4885KMT2A 3186/4885BACE1 2264/4885
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A MEN1 1673/4885KMT2A 2770/4885BACE1 3281/4885
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof HIF1AN, VHL, HIF1A MEN1 2008/4885KMT2A 3082/4885BACE1 2484/4885

“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.