Sugi Predict

Sugi Predict / Compounds / SCHEMBL1857045

SCHEMBL1857045

SCHEMBL1857045

COC(=O)c1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ GRM5 P41594 3/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ATR Q13535 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ CDK5 Q00535 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL29988307 0.87 KDM4E (0.62) ALDH1A1GRM5NPC1RAB9AKDM4E
SCHEMBL5777729 0.87 KDM4E (0.62) ALDH1A1GRM5NPC1RAB9AKDM4E
SCHEMBL465834 0.86 CYP1A2 (0.59) ALDH1A1GRM5CYP1A2SMN1; SMN2NPC1
SCHEMBL29394473 0.86 LCK (0.47) SMN1; SMN2NPC1RAB9ADYRK1AGAA
SCHEMBL6238614 0.86 KDM4E (0.43) ALDH1A1GRM5NPC1RAB9AKDM4E
SCHEMBL1712579 0.83 ALDH1A1 (0.51) ALDH1A1GRM5CYP1A2SMN1; SMN2CYP3A4
SCHEMBL29510654 0.83 ALDH1A1 (0.51) ALDH1A1GRM5CYP1A2SMN1; SMN2CYP3A4
SCHEMBL5779246 0.82 KDM4E (0.40) ALDH1A1GRM5NPC1RAB9AKDM4E
SCHEMBL16898714 0.81 IRAK4 (0.45) CYP1A2SMN1; SMN2NPC1TP53CYP3A4
SCHEMBL28997343 0.81 SORT1 (0.48) GRM5NPC1RAB9ARXFP1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 — — US claimed
EP-2265118-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-29 — — EP claimed
WO-2009115557-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-09-24 — — WO claimed
WO-2023143135-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF 赛诺哈勃药业（成都）有限公司 2023-08-03 — — WO disclosed
CN-112110894-B Phenyl oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2023-04-07 — — CN disclosed
US-20210403483-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-12-30 — — US disclosed
WO-2021262628-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-12-30 — — WO disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 — — US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 — — EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 — — CN disclosed
CN-112110894-A Phenyl oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-12-22 — — CN disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 — — US disclosed
EP-2265118-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-29 — — EP disclosed
WO-2009115557-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-09-24 — — WO disclosed
EP-1222194-B1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF TRINE PHARMACEUTICALS INC (US) 2005-06-15 — — EP disclosed
US-6723716-B1 BACTERICIDE FOR STAPHYLOCOCCUS ESSENTIAL THERAPEUTICS, INC. 2004-04-20 — — US disclosed
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 — — EP disclosed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 — — WO disclosed
US-6030965-A WIDE SPECTRAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-29 — — US disclosed
US-6025352-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-15 — — 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 (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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 ALDH1A1 944/4885GRM5 746/4885CYP1A2 3008/4885
US-20210403483-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GAA, UGT2B7 ALDH1A1 240/4885GRM5 3942/4885CYP1A2 305/4885
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD ALDH1A1 3321/4885GRM5 603/4885CYP1A2 95/4885

“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.