SCHEMBL3123333

SCHEMBL3123333

O=C(O)NC1(C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL20899680 0.93 DGAT1 (0.33) DGAT1
SCHEMBL23573531 0.91 DGAT1 (0.34) DGAT1
SCHEMBL23573552 0.91 DGAT1 (0.34) DGAT1
SCHEMBL27190694 0.81 DGAT1 (0.30) DGAT1
SCHEMBL20899726 0.80 DGAT1 (0.37) DGAT1
SCHEMBL31174729 0.78 DGAT1 (0.40) DGAT1
SCHEMBL527480 0.75 FFAR3 (0.36)
SCHEMBL20722682 0.75 SLC6A9 (0.32)
SCHEMBL20908001 0.75 GAA (0.40) DGAT1
SCHEMBL20625605 0.75 HTT (0.37) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
US-12005046-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-12005047-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
US-20240116928-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2024-03-21 US disclosed
US-11911369-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (VG) 2024-02-27 US disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 US disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 US disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 CN disclosed
US-10639298-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (US) 2020-05-05 US disclosed
US-20200085794-A1 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN THERAPEUTICS LTD. (JP) 2020-03-19 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 WO disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 WO disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 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 (13 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-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DGAT1 2519/4885
US-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 DGAT1 2519/4885
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 DGAT1 1623/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN DGAT1 3882/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 DGAT1 2491/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 DGAT1 2519/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E DGAT1 982/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 DGAT1 2473/4885
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 DGAT1 2491/4885
US-20200085794-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DGAT1 2519/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 DGAT1 2491/4885
US-20240116928-A1 CD73 COMPOUNDS ENTPD5, NT5E, ENTPD1 DGAT1 1733/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 DGAT1 2498/4885

“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.