Sugi Predict

Sugi Predict / Compounds / SCHEMBL768486

SCHEMBL768486

SCHEMBL768486

CC(C)(C)OC(=O)CC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CES1 P23141 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ PTPN1 P18031 2/20 0.50
▸ ERCC5 P28715 1/20 0.50
▸ FEN1 P39748 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ PLOD2 O00469 2/20 0.47
▸ PLOD3 O60568 1/20 0.47

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
SCHEMBL13871104 0.90 ERCC5 (0.56) KMT2AMEN1CYP3A4HPGDTDP1
SCHEMBL14849253 0.87 ERCC5 (0.60) TDP1MAPK1ALOX15ERCC5FEN1
SCHEMBL28067040 0.84 KMT2A (0.47) KMT2AMEN1CYP3A4HPGDTDP1
SCHEMBL2516124 0.84 NR4A2 (0.55) KMT2AMEN1CYP3A4HPGDTDP1
SCHEMBL1200949 0.84 NPC1 (0.59) KMT2AMEN1TDP1MAPK1KDM4E
SCHEMBL3999023 0.82 RAB9A (0.62) KMT2AMEN1HPGDTDP1MAPK1
SCHEMBL5176902 0.82 PLOD2 (0.53) CYP3A4HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL9859381 0.82 ERCC5 (0.51) KMT2AMEN1MAPK1KDM4EMAPT
SCHEMBL29025694 0.82 PLOD2 (0.54) KMT2AMEN1HPGDTDP1MAPK1
SCHEMBL8014554 0.82 SMN1; SMN2 (0.48) KMT2AMEN1HPGDTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478443-A The method that difluoro methylene inner salt is used for synthesizing β keto-amide as new ammonolysis reagent 四川理工学院 2017-03-08 — — CN claimed
US-20080262247-A1 Process for preparing arylaminopropanols ECKERT MARKUS 2008-10-23 — — US claimed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 — — US claimed
CN-1445224-A Process for preparing arylaminopropanols BAYER AG (DE) 2003-10-01 — — CN claimed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 — — EP claimed
US-20240383943-A1 Esterified Protein and Production Method Thereof SPIBER INC. (JP) 2024-11-21 — — US disclosed
EP-4410822-A1 ESTERIFIED PROTEIN AND PRODUCTION METHOD THEREOF Spiber Inc. (JP) 2024-08-07 — — EP disclosed
CN-118139872-A Esterified protein and method for producing the same 丝芭博株式会社 2024-06-04 — — CN disclosed
CN-115093323-B Beta-functionalized chiral homoallylic alcohol derivative and preparation method and application thereof 武汉大学 2023-12-22 — — CN disclosed
WO-2023080164-A1 ESTERIFIED PROTEIN AND PRODUCTION METHOD THEREOF Ｓｐｉｂｅｒ株式会社 2023-05-11 — — WO disclosed
CN-115093323-A Beta-functionalized chiral homoallyl alcohol derivative and preparation method and application thereof 武汉大学 2022-09-23 — — CN disclosed
WO-2015004610-A1 1,5-DIHYDROPYRROL-2-ONE DERIVATIVES AS INHIBITORS OF P53-MDM2/MDM4 PROTEIN-PROTEIN INTERACTION ADAMED SP. Z O.O. (PL) 2015-01-15 — — WO disclosed
US-RE33778-E 1,3-dithietane-2-carboxylic acid penicillin and cephalosporin derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-12-24 — — US disclosed
US-4703051-A CALCIUM CHANNEL BLOCKERS; HYPOTENSIVES, VASODILATORS SHIONOGI & CO., LTD. (JP) 1987-10-27 — — US disclosed
US-RE32491-E BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-09-01 — — US disclosed
EP-0207345-A2 4,7-Dihydrothieno[2,3-b]pyridine derivatives, process thereof, and agents for cardiovascular diseases SHIONOGI & CO., LTD. (JP) 1987-01-07 — — EP disclosed
US-4414153-A 1,3-Dithietane-2-carboxylic acid penicillin and cephalosporin derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1983-11-08 — — US disclosed
US-4404373-A Process for the preparation of 7α-methoxy-7β-(1,3-diethietane-2-carboxamido)cephalosporanic acid derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 — — US disclosed
US-4263432-A ANTIBIOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-04-21 — — US disclosed
US-4198339-A INTERMEDIATES FOR PENICILLINS AND CEPHALOSPORINS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-15 — — 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 KMT2A 746/4885MEN1 3279/4885CYP3A4 8/4885
US-20240383943-A1 Esterified Protein and Production Method Thereof BCAT1, BCAT2, CETP KMT2A 1703/4885MEN1 3433/4885CYP3A4 118/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR KMT2A 1021/4885MEN1 2931/4885CYP3A4 11/4885

“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.