SCHEMBL5575853

SCHEMBL5575853

CC(C)(C)[Si](O[C@@H]1CCC[C@H](C(=O)O)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
BACE1 P56817 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.35
TSHR P16473 1/20 0.34
SLC6A1 P30531 1/20 0.34
HSD11B1 P28845 1/20 0.34
HSD11B2 P80365 1/20 0.34
LPAR1 Q92633 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
S1PR5 Q9H228 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5575859 1.00 BTK (0.38) BTKAKR1C3AKR1C1BACE1SLCO1B1
SCHEMBL3939390 1.00 BTK (0.38) BTKAKR1C3AKR1C1BACE1SLCO1B1
SCHEMBL30315459 0.92 AKR1C3 (0.42) AKR1C3AKR1C1BACE1PDE4APDE4B
SCHEMBL22160094 0.92 AKR1C3 (0.42) AKR1C3AKR1C1BACE1PDE4APDE4B
SCHEMBL5571506 0.89 HSD11B1 (0.37) BACE1HSD11B1L3MBTL1RECQLHTT
SCHEMBL5571508 0.89 HSD11B1 (0.37) BACE1HSD11B1L3MBTL1RECQLHTT
SCHEMBL5571511 0.89 HSD11B1 (0.37) BACE1HSD11B1L3MBTL1RECQLHTT
SCHEMBL21222072 0.88 BACE1 (0.36) AKR1C3AKR1C1BACE1SLC6A1HSD11B1
SCHEMBL22614223 0.88 BACE1 (0.36) AKR1C3AKR1C1BACE1SLC6A1HSD11B1
SCHEMBL21222073 0.88 BACE1 (0.36) AKR1C3AKR1C1BACE1SLC6A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599443-B1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-12-21 EP disclosed
US-7173151-B2 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTISDEUTSCHAND GMBH (DE) 2007-02-06 US disclosed
EP-1599443-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004076401-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FASN BTK 3186/4885AKR1C3 71/4885AKR1C1 106/4885

“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.