Sugi Predict

Sugi Predict / Compounds / SCHEMBL14938837

SCHEMBL14938837

SCHEMBL14938837

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(N)=O)O2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.76
▸ PTGS2 P35354 1/20 0.76
▸ CYP1A2 P05177 1/20 0.76
▸ CYP3A4 P08684 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ ALOX5 P09917 3/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ CAPN1 P07384 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GSTP1 P09211 1/20 0.44
▸ TTPA P49638 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ACHE P22303 3/20 0.44
▸ BCHE P06276 2/20 0.44

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
SCHEMBL30463820 1.00 PTGS1 (0.76) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14950827 1.00 PTGS1 (0.76) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059274 1.00 PTGS1 (0.76) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8270579 0.86 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL4647438 0.86 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1928208 0.86 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL3226 0.86 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
(R)-Trolox SCHEMBL615168 0.86 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL16247633 0.86 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL1927837 0.86 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948010-A Oxidative cleavage of TROLOX amide PTC医疗公司 2025-05-06 — — CN disclosed
CN-114702406-B Polymorphic and amorphous forms of a compound PTC医疗公司 2025-02-25 — — CN disclosed
CN-115066420-B Optically resolved Trolox intermediates and methods of making the same PTC医疗公司 2024-12-10 — — CN disclosed
US-11938101-B2 Polymorphic forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide PTC THERAPEUTICS, INC. (US) 2024-03-26 — — US disclosed
US-20230364029-A1 POLYMORPHIC FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE PTC THERAPEUTICS INC (US) 2023-11-16 — — US disclosed
US-20230364029-A1 POLYMORPHIC FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE PTC THERAPEUTICS INC (US) 2023-11-16 — — US disclosed
US-20230029044-A1 OPTICALLY RESOLVED TROLOX INTERMEDIATE AND METHOD FOR PRODUCING SAME PTC THERAPEUTICS, INC. 2023-01-26 — — US disclosed
EP-4059922-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE PTC Therapeutics, Inc. (US) 2022-09-21 — — EP disclosed
CN-115066420-A Optically resolved Trolox intermediates and process for producing the same 住友制药株式会社 2022-09-16 — — CN disclosed
US-20220265578-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE BIOELECTRON TECHNOLOGY CORPORATION 2022-08-25 — — US disclosed
WO-2016100576-A1 METHODS FOR CHIRAL RESOLUTION OF TROLOX EDISON PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO disclosed
WO-2016100576-A1 METHODS FOR CHIRAL RESOLUTION OF TROLOX EDISON PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO disclosed
WO-2016100579-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE EDISON PHARMACEUTICALS, INC., (US) 2016-06-23 — — WO disclosed
EP-2799438-B1 WATER-SOLUBLE VITAMIN E DERIVATIVE MODIFIED FAT-SOLUBLE ANTI-CANCER DRUG COMPOUND AND FORMULATION, PREPARATION METHOD AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2016-03-23 — — EP disclosed
US-9206192-B2 Trolox derivative-modified fat-soluble anti-cancer pharmaceutical compounds, preparations, preparing methods and use thereof Jiangsu Chiatei Tianqing Pharmaceutical Co., LTd (CN) 2015-12-08 — — US disclosed
US-20140343088-A1 TROLOX DERIVATIVE-MODIFIED FAT-SOLUBLE ANTI-CANCER PHARMACEUTICAL COMPOUNDS, PREPARATIONS, PREPARING METHODS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2014-11-20 — — US disclosed
EP-2799438-A1 WATER-SOLUBLE VITAMIN E DERIVATIVE MODIFIED FAT-SOLUBLE ANTI-CANCER DRUG COMPOUND AND FORMULATION, PREPARATION METHOD AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2014-11-05 — — EP disclosed
CN-102516258-B Water-soluble vitamin E derivative modified fat-soluble anticancer drug compound and preparation, preparation method and application of compound CHIA TAI TIANQING MEDICAL TECHNOLOGY CO LTD 2014-06-25 — — CN disclosed
WO-2013067882-A1 WATER-SOLUBLE VITAMIN E DERIVATIVE MODIFIED FAT-SOLUBLE ANTI-CANCER DRUG COMPOUND AND FORMULATION, PREPARATION METHOD AND USE THEREOF 南京美西宁医药科技有限责任公司 (CN) 2013-05-16 — — WO disclosed
WO-2013067882-A1 WATER-SOLUBLE VITAMIN E DERIVATIVE MODIFIED FAT-SOLUBLE ANTI-CANCER DRUG COMPOUND AND FORMULATION, PREPARATION METHOD AND USE THEREOF 南京美西宁医药科技有限责任公司 (CN) 2013-05-16 — — 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 (5 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-20140343088-A1 TROLOX DERIVATIVE-MODIFIED FAT-SOLUBLE ANTI-CANCER PHARMACEUTICAL COMPOUNDS, PREPARATIONS, PREPARING METHODS AND USE THEREOF TTPA, PLIN1, PLIN5 PTGS1 215/4885PTGS2 218/4885CYP1A2 674/4885
US-11938101-B2 Polymorphic forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide HADHA, ACAA2, HOGA1 PTGS1 2763/4885PTGS2 2008/4885CYP1A2 1088/4885
US-20230364029-A1 POLYMORPHIC FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE HADHA, ACAA2, HOGA1 PTGS1 2763/4885PTGS2 2008/4885CYP1A2 1088/4885
US-20230029044-A1 OPTICALLY RESOLVED TROLOX INTERMEDIATE AND METHOD FOR PRODUCING SAME ALDH1A2, TTPA, AOX1 PTGS1 583/4885PTGS2 217/4885CYP1A2 74/4885
US-20220265578-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE ACAA2, HADHA, HOGA1 PTGS1 3006/4885PTGS2 2062/4885CYP1A2 1179/4885

“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.