SCHEMBL12965802

SCHEMBL12965802

CCC(NC(=O)OC(C)(C)C)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.59
CTSS P25774 8/20 0.59
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CAPN1 P07384 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13896971 1.00 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL8245652 1.00 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL5532831 0.87 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18925259 0.87 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18892598 0.87 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL23016033 0.85 CTSK (0.61) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12965804 0.85 CTSK (0.61) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15435539 0.85 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1688825 0.85 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL318796 0.85 CTSK (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368263-B Dipeptidyl ketoamide m-methoxyphenyl derivative and application thereof 兰德施泰纳根梅德公司 2023-09-26 CN disclosed
WO-2018138500-A1 PROCESS FOR PREPARING PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2018-08-02 WO disclosed
WO-2018065611-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE Oxford Drug Design Limited (GB) 2018-04-12 WO disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9139569-B2 Fused tricyclic aryl compounds useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256651-A1 Cyclosporine A steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-8680062-B2 System for delivering therapeutic agents into living cells and cells nuclei Deliversir Ltd. (IL) 2014-03-25 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US disclosed
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei SEGEV LABORATORIES LIMITED (IL) 2008-01-03 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 (10 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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP CTSK 141/4885CTSS 127/4885CYP1A2 135/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 CTSK 289/4885CTSS 222/4885CYP1A2 79/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 CTSK 290/4885CTSS 280/4885CYP1A2 198/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE CTSK 51/4885CTSS 46/4885CYP1A2 331/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 CTSK 314/4885CTSS 237/4885CYP1A2 56/4885
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 CTSK 3145/4885CTSS 1340/4885CYP1A2 364/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L CTSK 672/4885CTSS 381/4885CYP1A2 1816/4885
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, AADAC CTSK 853/4885CTSS 408/4885CYP1A2 259/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 CTSK 66/4885CTSS 29/4885CYP1A2 122/4885
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei RCC1, NUMA1, ACIN1 CTSK 1641/4885CTSS 276/4885CYP1A2 4664/4885

“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.