SCHEMBL7095465

SCHEMBL7095465

CC(=O)Oc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N(C(=O)OC(C)(C)C)S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MMP13 P45452 1/20 0.32
PTPN1 P18031 1/20 0.32
NPC1 O15118 2/20 0.32
ELANE P08246 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSP90AA1 P07900 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7091611 0.76 KMT2A (0.39) MAPTMAPK1KMT2AMEN1KDM4E
SCHEMBL7096325 0.75 MAPT (0.42) MAPTMAPK1KMT2APOLBMEN1
SCHEMBL7091860 0.75 MAPT (0.42) MAPTMAPK1KMT2APOLBKDM4E
SCHEMBL7092318 0.75 POLB (0.30) POLBGAA
SCHEMBL3286247 0.72 KEAP1 (0.43) KMT2APOLBMEN1PTPN1
SCHEMBL7092939 0.72 MAPT (0.44) MAPTMAPK1KMT2APOLBMEN1
SCHEMBL7096509 0.72 MEN1 (0.40) MAPTKMT2AMEN1PTPN1CYP3A4
SCHEMBL6140114 0.69 AR (0.39) PTPN1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6139688 0.68 CYP19A1 (0.45) MAPTKDM4EPTPN1ALDH1A1TDP1
SCHEMBL8819877 0.68 KEAP1 (0.40) MAPTKMT2APOLBMEN1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 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 (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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 MAPT 1539/4885MAPK1 581/4885KMT2A 3613/4885
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 MAPT 1657/4885MAPK1 349/4885KMT2A 1959/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 1106/4885MAPK1 377/4885KMT2A 4020/4885

“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.