SCHEMBL3178403

SCHEMBL3178403

NC1(C(F)(F)F)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL4828620 0.97
SCHEMBL1792526 0.97
Hydrochloric Acid SCHEMBL20532234 0.94
SCHEMBL1790446 0.90
Hydrochloric Acid SCHEMBL1515572 0.88
SCHEMBL1515656 0.83
Hydrochloric Acid SCHEMBL933589 0.80
SCHEMBL27478615 0.71 TSHR (0.32) TSHRCYP2C19
SCHEMBL18305982 0.71
SCHEMBL23938234 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 WO disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
EP-2266150-A1 N-TYPE SEMICONDUCTOR MATERIALS IN THIN FILM TRANSISTORS Eastman Kodak Company (US) 2010-12-29 EP disclosed
US-7649199-B2 N-type semiconductor materials in thin film transistors and electronic devices EASTMAN KODAK COMPANY (US) 2010-01-19 US disclosed
US-20090256137-A1 N-TYPE SEMICONDUCTOR MATERIALS IN THIN FILM TRANSISTORS AND ELECTRONIC DEVICES BANK OF AMERICA, N.A., AS AGENT 2009-10-15 US disclosed
WO-2009126203-A1 N-TYPE SEMICONDUCTOR MATERIALS IN THIN FILM TRANSISTORS EASTMAN KODAK COMPANY (US) 2009-10-15 WO disclosed
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed
EP-0410191-B1 Fluorinated cyclohexane derivatives, process and intermediates for their preparation and use of the fluorinated cyclohexane derivatives as fungicide and intermediates BAYER AG (DE) 1993-10-20 EP disclosed
US-5109020-A FLUORINATED CYCLOHEXANE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THE USE OF THE NEW FLUORINATED CYCLOHEXANE DERIVATIVES AS FUNGICIDES AND INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-28 US disclosed
EP-0410191-A1 Fluorinated cyclohexane derivatives, process and intermediates for their preparation and use of the fluorinated cyclohexane derivatives as fungicide and intermediates BAYER AG (DE) 1991-01-30 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 (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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 TSHR 1358/4885CYP2C19 262/4885

“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.