SCHEMBL455522

SCHEMBL455522

CC(CF)(CF)C(=O)CBr

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
TSHR P16473 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
SCHEMBL10734018 0.79
SCHEMBL219831 0.78 CYP2D6 (0.32) TSHR
SCHEMBL11101091 0.76 TRPA1 (0.38) TRPA1TSHR
SCHEMBL10981981 0.74 TRPA1 (0.36) TRPA1TSHR
SCHEMBL7230929 0.72 TSHR (0.35) TRPA1TSHR
SCHEMBL180091 0.71 TRPA1 (0.44) TRPA1TSHR
SCHEMBL112282 0.71
SCHEMBL5525834 0.69
SCHEMBL10804129 0.69
SCHEMBL9619294 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
US-8445691-B2 Heterocyclic thiosubstituted alkanol derivatives BAYER CROPSCIENCE AG (DE) 2013-05-21 US disclosed
US-8440836-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
EP-2576528-A1 HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES Bayer CropScience AG (DE) 2013-04-10 EP disclosed
EP-2576526-A1 HETEROCYCLIC THIOSUBSTITUTED ALKANOL DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-04-10 EP disclosed
US-20120065062-A1 Novel Heterocyclic Alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
EP-0019131-B1 FLUORINATED DERIVATIVES OF 1-TRIAZOLYL BUTANE, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1982-12-22 EP disclosed
EP-0028689-B1 ANTIMYCOTIC AGENTS CONTAINING ACYLATED TRIAZOLYL-GAMMA-FLUOROPINACOLYL DERIVATIVES, AND THEIR PREPARATION BAYER AG (DE) 1982-12-01 EP disclosed
US-4359470-A Acylated triazolyl-γ-fluoropinacolyl derivatives and their use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
EP-0019134-B1 FLUORINATED 1-IMIDAZOLYL-BUTANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS FUNGICIDES BAYER AG (DE) 1982-07-28 EP disclosed
EP-0019130-B1 ANTIMYCOTIC AGENTS AND PROCESS FOR PREPARING THEM BAYER AG (DE) 1982-07-07 EP disclosed
EP-0028689-A1 Antimycotic agents containing acylated triazolyl-gamma-fluoropinacolyl derivatives, and their preparation BAYER AG (DE) 1981-05-20 EP disclosed
EP-0026856-A1 Antimycotic agent containing an acylated imidazolyl-gamma-fluorpinacolyl derivative and its preparation BAYER AG (DE) 1981-04-15 EP disclosed
EP-0025948-A1 Acylated imidazolyl-gamma-fluoropinacolyl derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1981-04-01 EP disclosed
EP-0025949-A1 Acylated triazolyl-gamma-fluoropinacolyl derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1981-04-01 EP disclosed
EP-0019134-A1 Fluorinated 1-imidazolyl-butane derivatives, process for their preparation and their application as fungicides BAYER AG (DE) 1980-11-26 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 (3 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-20120065062-A1 Novel Heterocyclic Alkanol Derivatives ERG28, CBR3, MYB TRPA1 1320/4885TSHR 3765/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 TRPA1 664/4885TSHR 3606/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 TRPA1 664/4885TSHR 3606/4885

“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.