SCHEMBL2215577

SCHEMBL2215577

CCC(CC)OC(=O)OCCl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CTSK P43235 1/20 0.33
SOAT1 P35610 1/20 0.32

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
SCHEMBL1440094 0.81 ALDH1A1 (0.57) ALDH1A1CTSKSOAT1
SCHEMBL12986333 0.80 MAPT (0.36) ALDH1A1SOAT1
SCHEMBL12986377 0.80 MAPT (0.36) ALDH1A1SOAT1
SCHEMBL12986335 0.80 MAPT (0.36) ALDH1A1SOAT1
SCHEMBL180145 0.80 CTSK (0.38) ALDH1A1CTSKSOAT1
SCHEMBL304879 0.79 ALDH1A1 (0.36) ALDH1A1CTSKSOAT1
SCHEMBL12185999 0.79 ALDH1A1 (0.36) ALDH1A1CTSKSOAT1
SCHEMBL5965095 0.77 ALDH1A1 (0.35) ALDH1A1CTSKSOAT1
SCHEMBL19018678 0.77 HCAR2 (0.38) ALDH1A1CTSKSOAT1
SCHEMBL16904019 0.77

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
EP-3992194-A1 BENZODIAZEPINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE West China Hospital, Sichuan University (CN) 2022-05-04 EP disclosed
CN-112142746-B Benzodiazepine compound, preparation method and medical application thereof 四川大学华西医院 2021-09-24 CN disclosed
WO-2020259602-A1 BENZODIAZEPINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 四川大学华西医院 2020-12-30 WO disclosed
CN-112142746-A Benzodiazepine compound, preparation method and medical application thereof 四川大学华西医院 2020-12-29 CN disclosed
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 WO disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
CN-102947291-B Prodrugs of triazolone compounds EISAI R&D MAN CO LTD 2014-07-09 CN disclosed
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP disclosed
US-6069249-A CHEMICAL INTERMEDIATES; DETECTION LABELS FOR NUCLEOTIDE PROBES GILEAD SCIENCES, INC. (US) 2000-05-30 US disclosed
US-6043230-A Use of tenofovir disoproxil fumarate in treatment of HIV GILEAD SCIENCES, INC. (US) 2000-03-28 US disclosed
US-5977089-A ORALLY ADMINISTERING TENOFOVIR DERIVATIVES GILEAD SCIENCES, INC. (US) 1999-11-02 US disclosed
US-5922695-A COMPOUNDS CONTAINING CARBONATE OR CARBAMATE GROUPS GILEAD SCIENCES, INC. (US) 1999-07-13 US disclosed
EP-0915894-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1999-05-19 EP disclosed
US-5753672-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE TANABE SEIYAKU CO., LTD. (JP) 1998-05-19 US disclosed
WO-1998004569-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-02-05 WO disclosed
EP-0682023-B1 Imidazopyridine derivatives and process for preparing the same TANABE SEIYAKU CO (JP) 1997-02-12 EP disclosed
CN-1112925-A Imidazopyridine derivatives and process for preparing the same TANABE SEIYAKU CO (JP) 1995-12-06 CN disclosed
EP-0682023-A1 Imidazopyridine derivatives and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-11-15 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 (2 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ALDH1A1 305/4885CTSK 774/4885SOAT1 1923/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885CTSK 774/4885SOAT1 1923/4885

“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.