SCHEMBL2854697

SCHEMBL2854697

CC(C)(C)OC(=O)n1cc(C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
SCD O00767 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALKBH2 Q6NS38 2/20 0.40
HPGDS O60760 1/20 0.40
GPR119 Q8TDV5 2/20 0.36
EGLN1 Q9GZT9 4/20 0.36
ALKBH1 Q13686 2/20 0.35
XDH P47989 1/20 0.35
ELANE P08246 2/20 0.35
PLAU P00749 1/20 0.34

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
SCHEMBL17276611 0.87 ROCK2 (0.44) ROCK2SCDGPR119EGLN1ELANE
SCHEMBL17633410 0.81 ROCK2 (0.44) ROCK2SCDGPR119ELANE
SCHEMBL1843388 0.80 ROCK2 (0.41) ROCK2SCDL3MBTL1GPR119
SCHEMBL17648499 0.79 ROCK2 (0.43) ROCK2SCDGPR119ELANEPLAU
SCHEMBL427252 0.79 NOS1 (0.46) ROCK2SCDGPR119ELANEPLAU
SCHEMBL17633309 0.78 ROCK2 (0.39) ROCK2SCDL3MBTL1GPR119
SCHEMBL18083986 0.78 ROCK2 (0.43) ROCK2SCDGPR119ELANEPLAU
SCHEMBL1206008 0.78 ROCK2 (0.45) ROCK2SCDGPR119ELANEPLAU
SCHEMBL11901149 0.78 ROCK2 (0.43) ROCK2SCDGPR119ELANEPLAU
SCHEMBL2549524 0.78 ELANE (0.47) ROCK2SCDELANEPLAU

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
CN-117003745-B GLS1/HDAC double-target inhibitor and synthetic method and application thereof 南京市第一医院 2024-06-07 CN claimed
CN-117003745-A GLS1/HDAC double-target inhibitor and synthetic method and application thereof 南京市第一医院 2023-11-07 CN claimed
EP-4499632-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2025-02-05 EP disclosed
US-20250026735-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2025-01-23 US disclosed
CN-119095839-A Quinoline derivatives as modulators and related products of Mas-associated G protein receptor X2 伊赛恩特制药公司 2024-12-06 CN disclosed
US-12129244-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
US-12129243-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
CN-117003745-B GLS1/HDAC double-target inhibitor and synthetic method and application thereof 南京市第一医院 2024-06-07 CN disclosed
US-20240124414-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-04-18 US disclosed
US-20240124415-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-04-18 US disclosed
US-20240124416-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-04-18 US disclosed
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 US disclosed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 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 (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-20240124415-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 ROCK2 995/4885SCD 4695/4885L3MBTL1 4132/4885
US-12129244-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 ROCK2 995/4885SCD 4695/4885L3MBTL1 4132/4885
US-20250026735-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 ROCK2 995/4885SCD 4695/4885L3MBTL1 4132/4885
US-20240124416-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 ROCK2 995/4885SCD 4695/4885L3MBTL1 4132/4885
US-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 ROCK2 2946/4885SCD 1270/4885L3MBTL1 3202/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 ROCK2 1698/4885SCD 1765/4885L3MBTL1 1629/4885
US-20240124414-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 ROCK2 995/4885SCD 4695/4885L3MBTL1 4132/4885
US-12129243-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 ROCK2 995/4885SCD 4695/4885L3MBTL1 4132/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S ROCK2 2647/4885SCD 1339/4885L3MBTL1 1732/4885

“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.