SCHEMBL2089718

SCHEMBL2089718

O=C(O)c1cn[nH]c1CC=CF

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28058270 0.85 MEN1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL14822490 0.77 HCAR2 (0.43) TDP1MEN1ALDH1A1KMT2AHCAR2
SCHEMBL535662 0.73 ALDH1A1 (0.39) TDP1MEN1ALDH1A1KMT2AHCAR2
SCHEMBL28020906 0.72 LMNA (0.32)
SCHEMBL7740030 0.69 HCAR2 (0.45) TDP1MEN1ALDH1A1KMT2AHCAR2
SCHEMBL28987726 0.68 MEN1 (0.35) TDP1MEN1ALDH1A1KMT2ATSHR
SCHEMBL2088871 0.67
SCHEMBL31043688 0.66
SCHEMBL9046337 0.66
SCHEMBL5134164 0.64 IL1B (0.45) TDP1MEN1ALDH1A1KMT2AHCAR2

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
CN-103140477-B Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carbonyl chlorides and fluorides BAYER IP GMBH 2015-07-15 CN claimed
CN-102666492-B Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl chloride BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-23 CN disclosed
CN-103140477-B Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carbonyl chlorides and fluorides BAYER IP GMBH 2015-07-15 CN disclosed
EP-1854788-B1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEM RES (JP) 2012-06-13 EP disclosed
US-7863460-B2 Process for producing 1-substituted-3-fluoroalkylpyrazole-4-carboxylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-01-04 US disclosed
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate SAGAMI CHEMICAL RESEARCKH CENTER (JP) 2008-06-26 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 (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-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate CYP4Z1, CYP3A4, HACL2 TDP1 3223/4885MEN1 3837/4885ALDH1A1 69/4885

“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.