Sugi Predict

Sugi Predict / Compounds / SCHEMBL7092618

SCHEMBL7092618

SCHEMBL7092618

CC(C)(C)c1cc(OC[C@@H]2CO2)c[c]c1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ TP53 P04637 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ VDR P11473 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PKM P14618 2/20 0.31
▸ GRM2 Q14416 2/20 0.31

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
SCHEMBL7701403 0.81 MEN1 (0.49) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7092621 0.79 ALDH1A1 (0.42) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7091992 0.78 MEN1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7094384 0.78 MEN1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7093767 0.78 ALDH1A1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7094997 0.78 ALDH1A1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7091971 0.77 MEN1 (0.59) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7094998 0.74 ALDH1A1 (0.54) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7695325 0.74 ALDH1A1 (0.54) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7095297 0.73 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1TP53

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-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-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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 — — 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 (2 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 MEN1 2931/4885KMT2A 3613/4885TDP1 3384/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MEN1 2107/4885KMT2A 4020/4885TDP1 2707/4885

“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.