SCHEMBL427252

SCHEMBL427252

Cc1cnn(C(=O)OC(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
SCD O00767 1/20 0.45
ROCK2 O75116 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ELANE P08246 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
BCHE P06276 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL16377852 0.83 NOS1 (0.41) NOS1SCDALDH1A1TGM2TGM1
SCHEMBL17648499 0.82 ROCK2 (0.43) SCDROCK2ALDH1A1KDM4EELANE
SCHEMBL17276764 0.82 HTT (0.44) GPR119
SCHEMBL18083986 0.81 ROCK2 (0.43) SCDROCK2ELANEGPR119BCHE
SCHEMBL2549524 0.81 ELANE (0.47) SCDROCK2ALDH1A1TGM2TGM1
SCHEMBL671541 0.81 ROCK2 (0.45) SCDROCK2ELANEGPR119BCHE
SCHEMBL1206008 0.81 ROCK2 (0.45) SCDROCK2ALDH1A1KDM4EELANE
SCHEMBL11901149 0.81 ROCK2 (0.43) SCDROCK2ELANEGPR119BCHE
SCHEMBL16547510 0.79 ALDH1A1 (0.54) NOS1ALDH1A1TGM2TGM1HSD17B10
SCHEMBL2854697 0.79 ROCK2 (0.44) SCDROCK2ELANEGPR119PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258355-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2025-03-25 US disclosed
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
CN-107108534-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-05-09 CN disclosed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US disclosed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 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 (7 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-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 NOS1 4602/4885SCD 4024/4885ROCK2 3581/4885
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 NOS1 56/4885SCD 1280/4885ROCK2 2/4885
US-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 NOS1 529/4885SCD 4417/4885ROCK2 761/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 NOS1 3117/4885SCD 3294/4885ROCK2 1137/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 NOS1 267/4885SCD 4384/4885ROCK2 983/4885
US-12258355-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 NOS1 4602/4885SCD 4024/4885ROCK2 3581/4885
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN NOS1 1443/4885SCD 4005/4885ROCK2 2929/4885

“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.