SCHEMBL15717565

SCHEMBL15717565

NC(=O)C(O)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CETP P11597 1/20 0.31

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
SCHEMBL14533958 1.00 HTT (0.36) HTTCETP
SCHEMBL14533959 1.00 HTT (0.36) HTTCETP
SCHEMBL5463080 0.80 CA1 (0.31)
SCHEMBL3990465 0.76 CA1 (0.34) HTT
SCHEMBL11874172 0.76
SCHEMBL1623537 0.76 OR51E2 (0.46) HTT
SCHEMBL3917158 0.76 HTT (0.32) HTT
SCHEMBL29199307 0.74 OR51E2 (0.43) HTT
SCHEMBL2714639 0.74 NOS2 (0.33) HTT
SCHEMBL30366215 0.74 CA1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP claimed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108524533-A A kind of compound is used as antitumor drug synergist and reversal agent 中国科学院动物研究所 2018-09-14 CN disclosed
EP-2919782-B1 SECONDARY ALCOHOL SUBSITUTED TRIAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-04-26 EP disclosed
EP-2919782-B1 SECONDARY ALCOHOL SUBSITUTED TRIAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-04-26 EP disclosed
US-9428492-B2 Secondary alcohol substituted triazoles as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-9428492-B2 Secondary alcohol substituted triazoles as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-20150284368-A1 SECONDARY ALCOHOL SUBSTITUTED TRIAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-08 US disclosed
US-20150284368-A1 SECONDARY ALCOHOL SUBSTITUTED TRIAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-08 US disclosed
EP-2919782-A1 SECONDARY ALCOHOL SUBSITUTED TRIAZOLES AS PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014078220-A1 SECONDARY ALCOHOL SUBSITUTED TRIAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO disclosed
WO-2014078220-A1 SECONDARY ALCOHOL SUBSITUTED TRIAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-05-22 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 (1 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-20150284368-A1 SECONDARY ALCOHOL SUBSTITUTED TRIAZOLES AS PDE10 INHIBITORS PDE10A, PDE3A, PDE4B HTT 106/4885CETP 3083/4885

“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.