SCHEMBL15699006

SCHEMBL15699006

CC(C)(C)C[C@@H](O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.46
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL11990041 1.00 CETP (0.46) CETPPKMTSHRLMNAHTT
SCHEMBL9944456 1.00 CETP (0.46) CETPPKMTSHRLMNAHTT
SCHEMBL21307401 0.76 CETP (0.40) CETPPKMTSHR
SCHEMBL12218519 0.76 CETP (0.40) CETPPKMTSHR
SCHEMBL10098406 0.76 CETP (0.40) CETPPKMTSHR
SCHEMBL420845 0.75 TSHR (0.53) TSHR
SCHEMBL13389339 0.75 TSHR (0.53) TSHR
SCHEMBL421719 0.75 TSHR (0.53) TSHR
SCHEMBL9319804 0.75 CETP (0.50) CETPPKMLMNAHTTKMT2A
SCHEMBL25005646 0.74 CETP (0.39) CETPPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2021-07-29 US disclosed
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2020-12-10 US disclosed
US-RE46757-E1 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2018-03-20 US disclosed
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2017-03-16 US disclosed
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF BAETTIG URS (GB) 2014-05-15 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 (5 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-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CETP 3800/4885PKM 1348/4885TSHR 2129/4885
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 CETP 3662/4885PKM 1075/4885TSHR 1762/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 CETP 4143/4885PKM 1219/4885TSHR 2138/4885
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CETP 3800/4885PKM 1348/4885TSHR 2129/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CETP 3800/4885PKM 1348/4885TSHR 2129/4885

“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.