SCHEMBL6723581

SCHEMBL6723581

CC(C)(C)OC(=O)c1ccccc1OC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 4/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39

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
SCHEMBL6984283 0.87 SLC7A5 (0.38) ELANEKDM4EKMT2AMEN1RECQL
SCHEMBL6981261 0.86 SLC7A5 (0.37) ELANEKDM4EKMT2AMEN1RECQL
SCHEMBL6582605 0.86 SLC7A5 (0.37) ELANEKDM4EKMT2AMEN1RECQL
SCHEMBL6985192 0.85 KMT2A (0.42) KDM4EKMT2AMEN1HSD17B10LMNA
SCHEMBL6988917 0.84 SLC7A5 (0.36) ELANEKDM4EKMT2AMEN1RECQL
SCHEMBL6985172 0.84 AR (0.36) ELANEKDM4EKMT2AMEN1RECQL
SCHEMBL6984002 0.83 SMN1; SMN2 (0.40) KDM4EKMT2AMEN1LMNAHPGD
SCHEMBL1282947 0.82 HSD17B10 (0.50) ELANEKDM4EKMT2AHSD17B10LMNA
SCHEMBL6556774 0.82 ELANE (0.44) ELANEKDM4EKMT2AMEN1HSD17B10
SCHEMBL6984974 0.81 SLC6A3 (0.40) KDM4EKMT2AHSD17B10LMNASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131637-B2 Anti-PCSK9 compounds and methods for the treatment and/or prevention of cardiovascular diseases SHIFA BIOMEDICAL CORPORATION (US) 2018-11-20 US disclosed
US-20180079730-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES SHIFA BIOMEDICAL CORP (US) 2018-03-22 US disclosed
US-20150376139-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
US-6673809-B2 INHIBITING RESISTANT NEOPLASM, OR NEOPLASM SUSCEPTIBLE TO RESISTANCE ELI LILLY AND COMPANY 2004-01-06 US disclosed
US-20030216425-A1 Tricyclic compounds as mrp1-inhibitors ELI LILLY AND COMPANY 2003-11-20 US disclosed
EP-1301518-A1 TRICYCLIC COMPOUNDS AS MRP1-INHIBITORS ELI LILLY AND COMPANY (US) 2003-04-16 EP disclosed
WO-2001096346-A1 TRICYCLIC COMPOUNDS AS MRP1-INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
EP-0390181-A2 Perylenequinone (UCN-1028D) derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-03 EP disclosed
US-4863965-A Ibuprofen acid anhydrides and prodrug pharmaceutical composition containing the same B.V.B.A. INPHARM (BE) 1989-09-05 US disclosed
EP-0202703-B1 PHARMACEUTICAL COMPOSITIONS OF THE PRODRUG TYPE, A PROCESS FOR THE PREPARATION THEREOF, A PROCESS FOR THE PREPARATION OF THEM AS PRODRUG FUNCTIONING COMPOUNDS AND COMPOUNDS OBTAINED THEREIN N.V. Gantax Pharmaceutica (BE) 1989-08-09 EP disclosed
EP-0202703-A1 Pharmaceutical compositions of the prodrug type, a process for the preparation thereof, a process for the preparation of them as prodrug functioning compounds and compounds obtained therein N.V. Gantax Pharmaceutica (BE) 1986-11-26 EP disclosed
EP-0112604-A1 Novel resolved keto compounds and process ELI LILLY AND COMPANY (US) 1984-07-04 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 (6 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-20180079730-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES PCSK9, PCSK7, PCSK6 ELANE 827/4885KDM4E 2077/4885KMT2A 2090/4885
US-10131637-B2 Anti-PCSK9 compounds and methods for the treatment and/or prevention of cardiovascular diseases PCSK9, PCSK7, PCSK6 ELANE 615/4885KDM4E 1134/4885KMT2A 433/4885
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 ELANE 4513/4885KDM4E 3734/4885KMT2A 2020/4885
US-20150376139-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES PCSK9, PCSK7, PCSK6 ELANE 827/4885KDM4E 2077/4885KMT2A 2090/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 ELANE 4558/4885KDM4E 3346/4885KMT2A 1656/4885
US-20030216425-A1 Tricyclic compounds as mrp1-inhibitors ABCC1, ABCB1, ABCB11 ELANE 1698/4885KDM4E 4807/4885KMT2A 4505/4885

“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.