SCHEMBL7036743

SCHEMBL7036743

C=CCOC(C)(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
PPARA Q07869 3/20 0.32
PPARG P37231 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TET2 Q6N021 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19361664 0.82 TSHR (0.33) TSHRALDH1A1CYP3A4TDP1
SCHEMBL28178492 0.80 TSHR (0.36) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL23943462 0.80 TSHR (0.32) TSHRCYP3A4TDP1
SCHEMBL7132864 0.78 TSHR (0.33) TSHRALDH1A1CYP3A4
SCHEMBL21930110 0.78 PPARG (0.31) PPARAPPARG
SCHEMBL4119963 0.78 DGAT1 (0.34) TSHRALDH1A1CYP2C19TDP1MAPT
SCHEMBL15105913 0.77 TSHR (0.35) TSHRALDH1A1SMN1; SMN2
SCHEMBL10521805 0.77 TSHR (0.34) TSHRPPARAPPARGMEN1CYP1A2
SCHEMBL9777708 0.76 CYP3A4 (0.33) TSHRALDH1A1CYP3A4MAPT
SCHEMBL29141109 0.76 BTN3A1 (0.34) TSHRPPARAPPARGALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8283793-A None JP disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-20230357275-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN PRELUDE THERAPEUTICS INCORPORATED 2023-11-09 US disclosed
US-20230357275-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN PRELUDE THERAPEUTICS INCORPORATED 2023-11-09 US disclosed
US-20230357275-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN PRELUDE THERAPEUTICS INCORPORATED 2023-11-09 US disclosed
US-20230212191-A1 SPIRO-SULFONIMIDAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN PRELUDE THERAPEUTICS, INCORPORATED (US) 2023-07-06 US disclosed
EP-4149947-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN Prelude Therapeutics, Incorporated (US) 2023-03-22 EP disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
CN-115698024-A Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia 1 (MCL-1) protein 普莱鲁德疗法有限公司 2023-02-03 CN disclosed
CN-104781261-B The macrocyclic hcv inhibitors of flaviviridae 吉利德科学公司 2017-08-25 CN disclosed
CN-104781261-A Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES INC 2015-07-15 CN disclosed
EP-1016698-B1 Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks MITSUBISHI RAYON CO (JP) 2004-09-22 EP disclosed
EP-0629671-B1 Solvent composition MITSUBISHI RAYON CO (JP) 2002-03-27 EP disclosed
EP-1016699-A1 Use of a solvent composition comprising an oxyisobutyric acid ester as a cleaning agent Mitsubishi Rayon Co., Ltd. (JP) 2000-07-05 EP disclosed
EP-1016698-A1 Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks Mitsubishi Rayon Co., Ltd. (JP) 2000-07-05 EP disclosed
US-5630945-A RECOVERING STYRENE, POLYESTER AND ACRYLIC RESIN FROM WASTE AS A SOLUTION AND RECOVERING SOLVENT WITH OXYISOBUTYRIC ACID ESTER NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-20 US disclosed
US-5612303-A HYDROXY OR ETHERIFIED ESTERS NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-03-18 US disclosed
JP-H08283793-A CLEANING AGENT FOR INK NITTO CHEM IND CO LTD 1996-10-29 JP disclosed
EP-0629671-A2 Solvent composition NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-12-21 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 (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-20230212191-A1 SPIRO-SULFONIMIDAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN MCL1, BCL9, BCL2L1 TSHR 4537/4885PPARA 3200/4885PPARG 3460/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 TSHR 1815/4885PPARA 2993/4885PPARG 2185/4885
US-20230357275-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN MCL1, BCL2A1, BCL2L1 TSHR 4477/4885PPARA 2092/4885PPARG 3084/4885

“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.