Sugi Predict

Sugi Predict / Compounds / SCHEMBL564254

SCHEMBL564254

SCHEMBL564254

CC(C)(C)[Si]([O])(c1ccccc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PDK1 Q15118 2/20 0.31
▸ PDK2 Q15119 2/20 0.31
▸ PDK3 Q15120 2/20 0.31
▸ PDK4 Q16654 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 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
SCHEMBL152026 0.79 SLC6A2 (0.36) ESR1ESR2MAPTMAPK1KMT2A
SCHEMBL29749402 0.72 ESR1 (0.37) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL3526796 0.72 ESR1 (0.37) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL3888384 0.72 ESR1 (0.37) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL20328588 0.72 ESR1 (0.37) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL2140221 0.72 KCNN4 (0.36) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL8381381 0.70 TAAR1 (0.37) ESR1ESR2ALDH1A1MAPK1NR1H2
SCHEMBL15889153 0.70 ESR1 (0.41) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL6013056 0.70 ESR1 (0.41) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL988384 0.70 NR1H2 (0.48) ESR1ESR2MAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US claimed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 — — US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 — — US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 — — EP disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 — — EP disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — WO disclosed
EP-0504612-B1 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID CO (US) 1998-01-21 — — EP disclosed
US-5700930-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-12-23 — — US disclosed
US-5670489-A USEFUL IN TREATMENT OF DISEASES WHICH ARE MODULATED BY PROTEINS, OR IN TREATMENT OF VIRUSES SUCH AS INFLUENZA, HERPES, AND HIV NOVARTIS CORPORATION (US) 1997-09-23 — — US disclosed
US-5656753-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-08-12 — — US disclosed
US-5508270-A Nucleoside phosphinate compounds and compositions CIBA-GEIGY CORPORATION (US) 1996-04-16 — — US disclosed
US-5466677-A Dinucleoside phosphinates and their pharmaceutical compositions CIBA-GEIGY CORPORATION (US) 1995-11-14 — — US disclosed
US-5371215-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1994-12-06 — — US disclosed
EP-0614906-A1 Mononucleotide analogues and intermediates therefor CIBA-GEIGY AG (CH) 1994-09-14 — — EP disclosed
EP-0614907-A1 Dinucleotide and oligonucleotide analogues CIBA-GEIGY AG (CH) 1994-09-14 — — EP disclosed
US-5189158-A 4-SUBSTITUTED AZETIDINONES AS PRECURSORS TO 2-SUBSTITUTED-3-CARBOXY CARBAPENEM ANTIBIOTICS AND A METHOD OF PRODUCING THEM AMERICAN CYANAMID COMPANY (US) 1993-02-23 — — US disclosed
EP-0504612-A2 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-09-23 — — EP 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 ESR1 2367/4885ESR2 2686/4885MAPT 4051/4885
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 ESR1 2330/4885ESR2 3337/4885MAPT 3906/4885

“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.