Sugi Predict

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SCHEMBL190828

SCHEMBL190828

CC(C)(C)OC(=O)N1C(=O)C=CC1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.34
▸ DUT P33316 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33
▸ RELA Q04206 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ KLK7 P49862 2/20 0.32
▸ KLK5 Q9Y337 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ SETD7 Q8WTS6 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ GPR119 Q8TDV5 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
SCHEMBL960356 1.00 TOP2A (0.34) TOP2ADUTFKBP1ANFKB1NFKB2
SCHEMBL2504329 1.00 TOP2A (0.34) TOP2ADUTFKBP1ANFKB1NFKB2
SCHEMBL3739744 0.85 DUT (0.36) TOP2ADUTFKBP1A
SCHEMBL3628010 0.85 DUT (0.36) TOP2ADUTFKBP1A
SCHEMBL15957013 0.85 DUT (0.36) TOP2ADUTFKBP1A
SCHEMBL14273543 0.84 DUT (0.36) TOP2ADUTFKBP1A
SCHEMBL2738382 0.82 KLK7 (0.34) NFKB1NFKB2RELANR1H2KLK7
SCHEMBL15317919 0.81 SMYD2 (0.40) HTTKLK7KLK5NAMPTKDM4E
SCHEMBL8595433 0.81 SMYD2 (0.40) HTTKLK7KLK5NAMPTKDM4E
SCHEMBL15320368 0.81 ALDH1A1 (0.38) TOP2ADUTFKBP1ANFKB1NFKB2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2025-01-21 — — US disclosed
US-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER (US) 2023-10-26 — — US disclosed
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2023-07-18 — — US disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — WO disclosed
EP-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 — — EP disclosed
US-20200377511-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER INC. (US) 2020-12-03 — — US disclosed
CN-106458912-B Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2020-10-27 — — CN disclosed
US-10793579-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2020-10-06 — — US disclosed
EP-3536685-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS Pfizer Inc (US) 2019-09-11 — — EP disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 — — US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 — — US disclosed
EP-1441720-B8 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMA (US) 2012-03-28 — — EP disclosed
EP-2402009-A1 Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-04 — — EP disclosed
EP-1441720-B1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMA (US) 2012-01-04 — — EP disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 — — US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 — — US disclosed
EP-1441720-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-08-04 — — EP disclosed
US-20030134889-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2003-07-17 — — US disclosed
WO-2003035060-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-01 — — 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 (9 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-20200377511-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds UGT2B7, CYP3A43, CYP3A4 TOP2A 260/4885DUT 1807/4885FKBP1A 983/4885
US-10793579-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 TOP2A 260/4885DUT 1807/4885FKBP1A 983/4885
US-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds TTR, TYR, ABL1 TOP2A 891/4885DUT 3027/4885FKBP1A 1710/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 TOP2A 2472/4885DUT 520/4885FKBP1A 3023/4885
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 TOP2A 3776/4885DUT 1413/4885FKBP1A 423/4885
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds TTR, TYR, ABL1 TOP2A 891/4885DUT 3027/4885FKBP1A 1710/4885
US-20030134889-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 TOP2A 3776/4885DUT 1413/4885FKBP1A 423/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 TOP2A 3776/4885DUT 1413/4885FKBP1A 423/4885
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 TOP2A 260/4885DUT 1807/4885FKBP1A 983/4885

“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.